Temporal Neural Networks (TNNs), inspired from the mammalian neocortex, exhibit energy-efficient online sensory processing capabilities. Recent works have proposed a microarchitecture framework for implementing TNNs and demonstrated competitive performance on vision and time-series applications. Building on these previous works, this work proposes TNN7, a suite of nine highly optimized custom macros developed using a predictive 7nm Process Design Kit (PDK), to enhance the efficiency, modularity and flexibility of the TNN design framework. TNN prototypes for two applications are used for evaluation of TNN7. An unsupervised time-series clustering TNN delivering competitive performance can be implemented within 40 uW power and 0.05 mm^2 area, while a 4-layer TNN that achieves an MNIST error rate of 1% consumes only 18 mW and 24.63 mm^2. On average, the proposed macros reduce power, delay, area, and energy-delay product by 14%, 16%, 28%, and 45%, respectively. Furthermore, employing TNN7 significantly reduces the synthesis runtime of TNN designs (by more than 3x), allowing for highly-scaled TNN implementations to be realized.

The fairness-aware online learning framework has arisen as a powerful tool for the continual lifelong learning setting. The goal for the learner is to sequentially learn new tasks where they come one after another over time and the learner ensures the statistic parity of the new coming task across different protected sub-populations (e.g. race and gender). A major drawback of existing methods is that they make heavy use of the i.i.d assumption for data and hence provide static regret analysis for the framework. However, low static regret cannot imply a good performance in changing environments where tasks are sampled from heterogeneous distributions. To address the fairness-aware online learning problem in changing environments, in this paper, we first construct a novel regret metric FairSAR by adding long-term fairness constraints onto a strongly adapted loss regret. Furthermore, to determine a good model parameter at each round, we propose a novel adaptive fairness-aware online meta-learning algorithm, namely FairSAOML, which is able to adapt to changing environments in both bias control and model precision. The problem is formulated in the form of a bi-level convex-concave optimization with respect to the model's primal and dual parameters that are associated with the model's accuracy and fairness, respectively. The theoretic analysis provides sub-linear upper bounds for both loss regret and violation of cumulative fairness constraints. Our experimental evaluation on different real-world datasets with settings of changing environments suggests that the proposed FairSAOML significantly outperforms alternatives based on the best prior online learning approaches.

We claim that Convolutional Neural Networks (CNNs) learn to classify images using only small seemingly unrecognizable tiles. We show experimentally that CNNs trained only using such tiles can match or even surpass the performance of CNNs trained on full images. Conversely, CNNs trained on full images show similar predictions on small tiles. We also propose the first a priori theoretical model for convolutional data sets that seems to explain this behavior. This gives additional support to the long standing suspicion that CNNs do not need to understand the global structure of images to achieve state-of-the-art accuracies. Surprisingly it also suggests that over-fitting is not needed either.

Open set recognition (OSR) problem has been a challenge in many machine learning (ML) applications, such as security. As new/unknown malware families occur regularly, it is difficult to exhaust samples that cover all the classes for the training process in ML systems. An advanced malware classification system should classify the known classes correctly while sensitive to the unknown class. In this paper, we introduce a self-supervised pre-training approach for the OSR problem in malware classification. We propose two transformations for the function call graph (FCG) based malware representations to facilitate the pretext task. Also, we present a statistical thresholding approach to find the optimal threshold for the unknown class. Moreover, the experiment results indicate that our proposed pre-training process can improve different performances of different downstream loss functions for the OSR problem.

Likelihood-free inference for simulator-based statistical models has recently attracted a surge of interest, both in the machine learning and statistics communities. The primary focus of these research fields has been to approximate the posterior distribution of model parameters, either by various types of Monte Carlo sampling algorithms or deep neural network -based surrogate models. Frequentist inference for simulator-based models has been given much less attention to date, despite that it would be particularly amenable to applications with big data where implicit asymptotic approximation of the likelihood is expected to be accurate and can leverage computationally efficient strategies. Here we derive a set of theoretical results to enable estimation, hypothesis testing and construction of confidence intervals for model parameters using asymptotic properties of the Jensen--Shannon divergence. Such asymptotic approximation offers a rapid alternative to more computation-intensive approaches and can be attractive for diverse applications of simulator-based models. 61

In recent years, due to the wider WiFi coverage and the popularization of mobile communication devices, the technology of indoor positioning using WiFi fingerprints has been rapidly developed. Currently, most supervised methods need to collect a large amount of data to construct fingerprint datasets, which is labor-intensive and time-consuming. In addition, many studies focused on the ideal laboratory environment and lack the consideration in the practical application environment, especially in the scenario of multiple large multi-floor buildings. To solve these problems, we proposed a novel WiDAGCN model which can be trained by a few labeled site survey data and unlabeled crowdsensing WiFi fingerprints. To comprehensively represent the topology structure of the data, we constructed heterogeneous graphs according to the received signal strength indicators (RSSIs) between the waypoints and WiFi access points (APs). Moreover, previous WiFi indoor localization studies rarely involved complete graph feature representation, thus we use graph convolutional network (GCN) to extract graph-level embeddings. There are also some difficult problems, for example, a large amount of unlabeled data that cannot be applied to a supervised model, and the existence of multiple data domains leads to inconsistency in data distribution. Therefore, a semi-supervised domain adversarial training scheme was used to make full use of unlabeled data and align the data distribution of different domains. A public indoor localization dataset containing different buildings was used to evaluate the performance of the model. The experimental results show that our system can achieve a competitive localization accuracy in large buildings such as shopping malls.

Existing deep learning based methods effectively prompt the performance of aerial scene classification. However, due to the large amount of parameters and computational cost, it is rather difficult to apply these methods to multiple real-time remote sensing applications such as on-board data preception on drones and satellites. In this paper, we address this task by developing a light-weight ConvNet named multi-stage duplex fusion network (MSDF-Net). The key idea is to use parameters as little as possible while obtaining as strong as possible scene representation capability. To this end, a residual-dense duplex fusion strategy is developed to enhance the feature propagation while re-using parameters as much as possible, and is realized by our duplex fusion block (DFblock). Specifically, our MSDF-Net consists of multi-stage structures with DFblock. Moreover, duplex semantic aggregation (DSA) module is developed to mine the remote sensing scene information from extracted convolutional features, which also contains two parallel branches for semantic description. Extensive experiments are conducted on three widely-used aerial scene classification benchmarks, and reflect that our MSDF-Net can achieve a competitive performance against the recent state-of-art while reducing up to 80% parameter numbers. Particularly, an accuracy of 92.96% is achieved on AID with only 0.49M parameters.

Communication overhead is one of the major obstacles to train large deep learning models at scale. Gradient sparsification is a promising technique to reduce the communication volume. However, it is very challenging to obtain real performance improvement because of (1) the difficulty of achieving an scalable and efficient sparse allreduce algorithm and (2) the sparsification overhead. This paper proposes O$k$-Top$k$, a scheme for distributed training with sparse gradients. O$k$-Top$k$ integrates a novel sparse allreduce algorithm (less than 6$k$ communication volume which is asymptotically optimal) with the decentralized parallel Stochastic Gradient Descent (SGD) optimizer, and its convergence is proved. To reduce the sparsification overhead, O$k$-Top$k$ efficiently selects the top-$k$ gradient values according to an estimated threshold. Evaluations are conducted on the Piz Daint supercomputer with neural network models from different deep learning domains. Empirical results show that O$k$-Top$k$ achieves similar model accuracy to dense allreduce. Compared with the optimized dense and the state-of-the-art sparse allreduces, O$k$-Top$k$ is more scalable and significantly improves training throughput (e.g., 3.29x-12.95x improvement for BERT on 256 GPUs).

In this paper, we introduce ChemicalX, a PyTorch-based deep learning library designed for providing a range of state of the art models to solve the drug pair scoring task. The primary objective of the library is to make deep drug pair scoring models accessible to machine learning researchers and practitioners in a streamlined framework.The design of ChemicalX reuses existing high level model training utilities, geometric deep learning, and deep chemistry layers from the PyTorch ecosystem. Our system provides neural network layers, custom pair scoring architectures, data loaders, and batch iterators for end users. We showcase these features with example code snippets and case studies to highlight the characteristics of ChemicalX. A range of experiments on real world drug-drug interaction, polypharmacy side effect, and combination synergy prediction tasks demonstrate that the models available in ChemicalX are effective at solving the pair scoring task. Finally, we show that ChemicalX could be used to train and score machine learning models on large drug pair datasets with hundreds of thousands of compounds on commodity hardware.

Contextual bandits are canonical models for sequential decision-making under uncertainty in environments with time-varying components. In this setting, the expected reward of each bandit arm consists of the inner product of an unknown parameter with the context vector of that arm. The classical bandit settings heavily rely on assuming that the contexts are fully observed, while study of the richer model of imperfectly observed contextual bandits is immature. This work considers Greedy reinforcement learning policies that take actions as if the current estimates of the parameter and of the unobserved contexts coincide with the corresponding true values. We establish that the non-asymptotic worst-case regret grows poly-logarithmically with the time horizon and the failure probability, while it scales linearly with the number of arms. Numerical analysis showcasing the above efficiency of Greedy policies is also provided.

With the recent advance of deep learning, neural networks have been extensively used for data in non-Euclidean domains. In particular, hyperbolic neural networks have proved successful in processing hierarchical information of data. While a variety of hyperbolic neural network structures have been proposed, they mainly focus on discriminative tasks, and generative models in the hyperbolic space have scarcely been studied. In this work, we propose a hyperbolic generative adversarial network (GAN) within the Lorentz model for generating hyperbolic data. In addition to existing hyperbolic operations, we design novel hyperbolic layers to guarantee stable training. We first use synthetic data to show that our network is able to learn simple distribution in the hyperbolic space. Moreover, by virtue of an autoencoder, we construct a neural network model, named HAEGAN, for generating more complex data in the hyperbolic space. HAEGAN contains three parts: first, a hyperbolic autoencoder; second, a hyperbolic GAN for generating the latent embedding of the autoencoder; third, a generator that inherits the decoder from autoencoder and the generator from the GAN. Experiments show that HAEGAN is able to generate complex data with state-of-the-art structure-related performance.

Probabilistic graphical models (PGMs) are tools for solving complex probabilistic relationships. However, suboptimal PGM structures are primarily used in practice. This dissertation presents three contributions to the PGM literature. The first is a comparison between factor graphs and cluster graphs on graph colouring problems such as Sudokus - indicating a significant advantage for preferring cluster graphs. The second is an application of cluster graphs to a practical problem in cartography: land cover classification boosting. The third is a PGMs formulation for constraint satisfaction problems and an algorithm called purge-and-merge to solve such problems too complex for traditional PGMs.

We initiate a formal study of reproducibility in optimization. We define a quantitative measure of reproducibility of optimization procedures in the face of noisy or error-prone operations such as inexact or stochastic gradient computations or inexact initialization. We then analyze several convex optimization settings of interest such as smooth, non-smooth, and strongly-convex objective functions and establish tight bounds on the limits of reproducibility in each setting. Our analysis reveals a fundamental trade-off between computation and reproducibility: more computation is necessary (and sufficient) for better reproducibility.

Federated Learning (FL) trains a machine learning model on distributed clients without exposing individual data. Unlike centralized training that is usually based on carefully-organized data, FL deals with on-device data that are often unfiltered and imbalanced. As a result, conventional FL training protocol that treats all data equally leads to a waste of local computational resources and slows down the global learning process. To this end, we propose FedBalancer, a systematic FL framework that actively selects clients' training samples. Our sample selection strategy prioritizes more "informative" data while respecting privacy and computational capabilities of clients. To better utilize the sample selection to speed up global training, we further introduce an adaptive deadline control scheme that predicts the optimal deadline for each round with varying client training data. Compared with existing FL algorithms with deadline configuration methods, our evaluation on five datasets from three different domains shows that FedBalancer improves the time-to-accuracy performance by 1.20~4.48x while improving the model accuracy by 1.1~5.0%. We also show that FedBalancer is readily applicable to other FL approaches by demonstrating that FedBalancer improves the convergence speed and accuracy when operating jointly with three different FL algorithms.

This work proposes a domain-informed neural network architecture for experimental particle physics, using particle interaction localization with the time-projection chamber (TPC) technology for dark matter research as an example application. A key feature of the signals generated within the TPC is that they allow localization of particle interactions through a process called reconstruction. While multilayer perceptrons (MLPs) have emerged as a leading contender for reconstruction in TPCs, such a black-box approach does not reflect prior knowledge of the underlying scientific processes. This paper looks anew at neural network-based interaction localization and encodes prior detector knowledge, in terms of both signal characteristics and detector geometry, into the feature encoding and the output layers of a multilayer neural network. The resulting Domain-informed Neural Network (DiNN) limits the receptive fields of the neurons in the initial feature encoding layers in order to account for the spatially localized nature of the signals produced within the TPC. This aspect of the DiNN, which has similarities with the emerging area of graph neural networks in that the neurons in the initial layers only connect to a handful of neurons in their succeeding layer, significantly reduces the number of parameters in the network in comparison to an MLP. In addition, in order to account for the detector geometry, the output layers of the network are modified using two geometric transformations to ensure the DiNN produces localizations within the interior of the detector. The end result is a neural network architecture that has 60% fewer parameters than an MLP, but that still achieves similar localization performance and provides a path to future architectural developments with improved performance because of their ability to encode additional domain knowledge into the architecture.

In this paper, we propose a class of high-efficiency deep joint source-channel coding methods that can closely adapt to the source distribution under the nonlinear transform, it can be collected under the name nonlinear transform source-channel coding (NTSCC). In the considered model, the transmitter first learns a nonlinear analysis transform to map the source data into latent space, then transmits the latent representation to the receiver via deep joint source-channel coding. Our model incorporates the nonlinear transform as a strong prior to effectively extract the source semantic features and provide side information for source-channel coding. Unlike existing conventional deep joint source-channel coding methods, the proposed NTSCC essentially learns both the source latent representation and an entropy model as the prior on the latent representation. Accordingly, novel adaptive rate transmission and hyperprior-aided codec refinement mechanisms are developed to upgrade deep joint source-channel coding. The whole system design is formulated as an optimization problem whose goal is to minimize the end-to-end transmission rate-distortion performance under established perceptual quality metrics. Across test image sources with various resolutions, we find that the proposed NTSCC transmission method generally outperforms both the analog transmission using the standard deep joint source-channel coding and the classical separation-based digital transmission. Notably, the proposed NTSCC method can potentially support future semantic communications due to its content-aware ability and perceptual optimization goal.

The recent success of neural network models has shone light on a rather surprising statistical phenomenon: statistical models that perfectly fit noisy data can generalize well to unseen test data. Understanding this phenomenon of $\textit{benign overfitting}$ has attracted intense theoretical and empirical study. In this paper, we consider interpolating two-layer linear neural networks trained with gradient flow on the squared loss and derive bounds on the excess risk when the covariates satisfy sub-Gaussianity and anti-concentration properties, and the noise is independent and sub-Gaussian. By leveraging recent results that characterize the implicit bias of this estimator, our bounds emphasize the role of both the quality of the initialization as well as the properties of the data covariance matrix in achieving low excess risk.

Background and Objective: Artificial intelligence (AI) methods coupled with biomedical analysis has a critical role during pandemics as it helps to release the overwhelming pressure from healthcare systems and physicians. As the ongoing COVID-19 crisis worsens in countries having dense populations and inadequate testing kits like Brazil and India, radiological imaging can act as an important diagnostic tool to accurately classify covid-19 patients and prescribe the necessary treatment in due time. With this motivation, we present our study based on deep learning architecture for detecting covid-19 infected lungs using chest X-rays. Dataset: We collected a total of 2470 images for three different class labels, namely, healthy lungs, ordinary pneumonia, and covid-19 infected pneumonia, out of which 470 X-ray images belong to the covid-19 category. Methods: We first pre-process all the images using histogram equalization techniques and segment them using U-net architecture. VGG-16 network is then used for feature extraction from the pre-processed images which is further sampled by SMOTE oversampling technique to achieve a balanced dataset. Finally, the class-balanced features are classified using a support vector machine (SVM) classifier with 10-fold cross-validation and the accuracy is evaluated. Result and Conclusion: Our novel approach combining well-known pre-processing techniques, feature extraction methods, and dataset balancing method, lead us to an outstanding rate of recognition of 98% for COVID-19 images over a dataset of 2470 X-ray images. Our model is therefore fit to be utilized in healthcare facilities for screening purposes.

Defining and accurately measuring generalization in generative models remains an ongoing challenge and a topic of active research within the machine learning community. This is in contrast to discriminative models, where there is a clear definition of generalization, i.e., the model's classification accuracy when faced with unseen data. In this work, we construct a simple and unambiguous approach to evaluate the generalization capabilities of generative models. Using the sample-based generalization metrics proposed here, any generative model, from state-of-the-art classical generative models such as GANs to quantum models such as Quantum Circuit Born Machines, can be evaluated on the same ground on a concrete well-defined framework. In contrast to other sample-based metrics for probing generalization, we leverage constrained optimization problems (e.g., cardinality constrained problems) and use these discrete datasets to define specific metrics capable of unambiguously measuring the quality of the samples and the model's generalization capabilities for generating data beyond the training set but still within the valid solution space. Additionally, our metrics can diagnose trainability issues such as mode collapse and overfitting, as we illustrate when comparing GANs to quantum-inspired models built out of tensor networks. Our simulation results show that our quantum-inspired models have up to a $68 \times$ enhancement in generating unseen unique and valid samples compared to GANs, and a ratio of 61:2 for generating samples with better quality than those observed in the training set. We foresee these metrics as valuable tools for rigorously defining practical quantum advantage in the domain of generative modeling.

Many functions have approximately-known upper and/or lower bounds, potentially aiding the modeling of such functions. In this paper, we introduce Gaussian process models for functions where such bounds are (approximately) known. More specifically, we propose the first use of such bounds to improve Gaussian process (GP) posterior sampling and Bayesian optimization (BO). That is, we transform a GP model satisfying the given bounds, and then sample and weight functions from its posterior. To further exploit these bounds in BO settings, we present bounded entropy search (BES) to select the point gaining the most information about the underlying function, estimated by the GP samples, while satisfying the output constraints. We characterize the sample variance bounds and show that the decision made by BES is explainable. Our proposed approach is conceptually straightforward and can be used as a plug in extension to existing methods for GP posterior sampling and Bayesian optimization.

As a dominant paradigm, fine-tuning a pre-trained model on the target data is widely used in many deep learning applications, especially for small data sets. However, recent studies have empirically shown that training from scratch has the final performance that is no worse than this pre-training strategy once the number of training samples is increased in some vision tasks. In this work, we revisit this phenomenon from the perspective of generalization analysis by using excess risk bound which is popular in learning theory. The result reveals that the excess risk bound may have a weak dependency on the pre-trained model. The observation inspires us to leverage pre-training data for fine-tuning, since this data is also available for fine-tuning. The generalization result of using pre-training data shows that the excess risk bound on a target task can be improved when the appropriate pre-training data is included in fine-tuning. With the theoretical motivation, we propose a novel selection strategy to select a subset from pre-training data to help improve the generalization on the target task. Extensive experimental results for image classification tasks on 8 benchmark data sets verify the effectiveness of the proposed data selection based fine-tuning pipeline.

Vehicle trajectory prediction is essential for enabling safety-critical intelligent transportation systems (ITS) applications used in management and operations. While there have been some promising advances in the field, there is a need for modern deep learning algorithms that allow real-time trajectory prediction on embedded IoT devices. This article presents DeepTrack, a novel deep learning algorithm customized for real-time vehicle trajectory prediction and monitoring applications in arterial management, freeway management, traffic incident management, and work zone management for high-speed incoming traffic. In contrast to previous methods, the vehicle dynamics are encoded using Temporal Convolutional Networks (TCNs) to provide more robust time prediction with less computation. DeepTrack also uses depthwise convolution, which reduces the complexity of models compared to existing approaches in terms of model size and operations. Overall, our experimental results demonstrate that DeepTrack achieves comparable accuracy to state-of-the-art trajectory prediction models but with smaller model sizes and lower computational complexity, making it more suitable for real-world deployment.

The rapid development of Artificial Intelligence (AI) technology has enabled the deployment of various systems based on it. However, many current AI systems are found vulnerable to imperceptible attacks, biased against underrepresented groups, lacking in user privacy protection. These shortcomings degrade user experience and erode people's trust in all AI systems. In this review, we provide AI practitioners with a comprehensive guide for building trustworthy AI systems. We first introduce the theoretical framework of important aspects of AI trustworthiness, including robustness, generalization, explainability, transparency, reproducibility, fairness, privacy preservation, and accountability. To unify currently available but fragmented approaches toward trustworthy AI, we organize them in a systematic approach that considers the entire lifecycle of AI systems, ranging from data acquisition to model development, to system development and deployment, finally to continuous monitoring and governance. In this framework, we offer concrete action items for practitioners and societal stakeholders (e.g., researchers, engineers, and regulators) to improve AI trustworthiness. Finally, we identify key opportunities and challenges for the future development of trustworthy AI systems, where we identify the need for a paradigm shift toward comprehensively trustworthy AI systems.

One underlying assumption of recent federated learning (FL) paradigms is that all local models usually share the same network architecture and size, which becomes impractical for devices with different hardware resources. A scalable federated learning framework should address the heterogeneity that clients have different computing capacities and communication capabilities. To this end, this paper proposes FedHM, a novel heterogeneous federated model compression framework, distributing the heterogeneous low-rank models to clients and then aggregating them into a full-rank model. Our solution enables the training of heterogeneous models with varying computational complexities and aggregates them into a single global model. Furthermore, FedHM significantly reduces the communication cost by using low-rank models. Extensive experimental results demonstrate that FedHM is superior in the performance and robustness of models of different sizes, compared with state-of-the-art heterogeneous FL methods under various FL settings. Additionally, the convergence guarantee of FL for heterogeneous devices is first theoretically analyzed.

To proactively navigate and traverse various terrains, active use of visual perception becomes indispensable. We aim to investigate the feasibility and performance of using sparse visual observations to achieve perceptual locomotion over a range of common terrains (steps, ramps, gaps, and stairs) in human-centered environments. We formulate a selection of sparse visual inputs suitable for locomotion over the terrains of interest, and propose a learning framework to integrate exteroceptive and proprioceptive states. We specifically design the state observations and a training curriculum to learn feedback control policies effectively over a range of different terrains. We extensively validate and benchmark the learned policy in various tasks: omnidirectional walking on flat ground, and forward locomotion over various obstacles, showing high success rate of traversability. Furthermore, we study exteroceptive ablations and evaluate policy generalization by adding various levels of noise and testing on new unseen terrains. We demonstrate the capabilities of autonomous perceptual locomotion that can be achieved by only using sparse visual observations from direct depth measurements, which are easily available from a Lidar or RGB-D sensor, showing robust ascent and descent over high stairs of 20 cm height, i.e., 50% leg length, and robustness against noise and unseen terrains.

Feature attribution for kernel methods is often heuristic and not individualised for each prediction. To address this, we turn to the concept of Shapley values~(SV), a coalition game theoretical framework that has previously been applied to different machine learning model interpretation tasks, such as linear models, tree ensembles and deep networks. By analysing SVs from a functional perspective, we propose \textsc{RKHS-SHAP}, an attribution method for kernel machines that can efficiently compute both \emph{Interventional} and \emph{Observational Shapley values} using kernel mean embeddings of distributions. We show theoretically that our method is robust with respect to local perturbations - a key yet often overlooked desideratum for consistent model interpretation. Further, we propose \emph{Shapley regulariser}, applicable to a general empirical risk minimisation framework, allowing learning while controlling the level of specific feature's contributions to the model. We demonstrate that the Shapley regulariser enables learning which is robust to covariate shift of a given feature and fair learning which controls the SVs of sensitive features.

Recently, self-supervised learning has attracted great attention, since it only requires unlabeled data for training. Contrastive learning is one popular method for self-supervised learning and has achieved promising empirical performance. However, the theoretical understanding of its generalization ability is still limited. To this end, we define a kind of $(\sigma,\delta)$-measure to mathematically quantify the data augmentation, and then provide an upper bound of the downstream classification error based on the measure. We show that the generalization ability of contrastive self-supervised learning depends on three key factors: alignment of positive samples, divergence of class centers, and concentration of augmented data. The first two factors can be optimized by contrastive algorithms, while the third one is priorly determined by pre-defined data augmentation. With the above theoretical findings, we further study two canonical contrastive losses, InfoNCE and cross-correlation loss, and prove that both of them are indeed able to satisfy the first two factors. Moreover, we empirically verify the third factor by conducting various experiments on the real-world dataset, and show that our theoretical inferences on the relationship between the data augmentation and the generalization of contrastive self-supervised learning agree with the empirical observations.

Manifold-valued functional data analysis (FDA) recently becomes an active area of research motivated by the raising availability of trajectories or longitudinal data observed on non-linear manifolds. The challenges of analyzing such data come from many aspects, including infinite dimensionality and nonlinearity, as well as time-domain or phase variability. In this paper, we study the amplitude part of manifold-valued functions on $\mathbb{S}^2$, which is invariant to random time warping or re-parameterization. Utilizing the nice geometry of $\mathbb{S}^2$, we develop a set of efficient and accurate tools for temporal alignment of functions, geodesic computing, and sample mean calculation. At the heart of these tools, they rely on gradient descent algorithms with carefully derived gradients. We show the advantages of these newly developed tools over its competitors with extensive simulations and real data and demonstrate the importance of considering the amplitude part of functions instead of mixing it with phase variability in manifold-valued FDA.

When predicting trajectories of road agents, motion predictors usually approximate the future distribution by a limited number of samples. This constraint requires the predictors to generate samples that best support the task given task specifications. However, existing predictors are often optimized and evaluated via task-agnostic measures without accounting for the use of predictions in downstream tasks, and thus could result in sub-optimal task performance. In this paper, we propose a task-informed motion prediction model that better supports the tasks through its predictions, by jointly reasoning about prediction accuracy and the utility of the downstream tasks, which is commonly used to evaluate the task performance. The task utility function does not require the full task information, but rather a specification of the utility of the task, resulting in predictors that serve a wide range of downstream tasks. We demonstrate our approach on two use cases of common decision making tasks and their utility functions, in the context of autonomous driving and parallel autonomy. Experiment results show that our predictor produces accurate predictions that improve the task performance by a large margin in both tasks when compared to task-agnostic baselines on the Waymo Open Motion dataset.

Long range forecasts are the starting point of many decision support systems that need to draw inference from high-level aggregate patterns on forecasted values. State of the art time-series forecasting methods are either subject to concept drift on long-horizon forecasts, or fail to accurately predict coherent and accurate high-level aggregates. In this work, we present a novel probabilistic forecasting method that produces forecasts that are coherent in terms of base level and predicted aggregate statistics. We achieve the coherency between predicted base-level and aggregate statistics using a novel inference method based on KL-divergence that can be solved efficiently in closed form. We show that our method improves forecast performance across both base level and unseen aggregates post inference on real datasets ranging three diverse domains. (\href{https://github.com/pratham16cse/AggForecaster}{Project URL})

Statistical learning is the process of estimating an unknown probabilistic input-output relationship of a system using a limited number of observations; a statistical learning machine (SLM) is the algorithm, function, model, or rule, that learns such a process; and machine learning (ML) is the conventional name of this field. ML and its applications are ubiquitous in the modern world. Cyberphysical systems such as Automatic target recognition (ATR) in military applications, computer aided diagnosis (CAD) in medical imaging, DNA microarrays in genomics, optical character recognition (OCR), speech recognition (SR), spam email filtering, stock market prediction, etc., are few examples and applications for ML; diverse fields but one theory. In particular, ML has gained a lot of attention in the field of cyberphysical security, especially in the last decade. It is of great importance to this field to design detection algorithms that have the capability of learning from security data to be able to hunt threats, achieve better monitoring, master the complexity of the threat intelligence feeds, and achieve timely remediation of security incidents. The field of ML can be decomposed into two basic subfields: \textit{construction} and \textit{assessment}. We mean by \textit{construction} designing or inventing an appropriate algorithm that learns from the input data and achieves a good performance according to some optimality criterion. We mean by \textit{assessment} attributing some performance measures to the constructed ML algorithm, along with their estimators, to objectively assess this algorithm.

Data augmentation is becoming essential for improving regression accuracy in critical applications including manufacturing, climate prediction, and finance. Existing techniques for data augmentation largely focus on classification tasks and do not readily apply to regression tasks. In particular, the recent Mixup techniques for classification have succeeded in improving the model performance, which is reasonable due to the characteristics of the classification task, but has limitations in regression. We show that mixing examples that have large data distances using linear interpolations may have increasingly-negative effects on model performance. Hence, we use the stricter assumption that linearity only holds within certain data distances for regression where the degree may vary by each example. We then propose MixR, a data augmentation framework for regression that learns for each example how many nearest neighbors it should be mixed with for the best model performance using a validation set. Our experiments conducted both on synthetic and real datasets show that MixR significantly outperforms state-of-the-art data augmentation baselines applicable to regression. MixR can also be integrated with existing Mixup techniques to significantly improve their performances.

A simple model to study subspace clustering is the high-dimensional $k$-Gaussian mixture model where the cluster means are sparse vectors. Here we provide an exact asymptotic characterization of the statistically optimal reconstruction error in this model in the high-dimensional regime with extensive sparsity, i.e. when the fraction of non-zero components of the cluster means $\rho$, as well as the ratio $\alpha$ between the number of samples and the dimension are fixed, while the dimension diverges. We identify the information-theoretic threshold below which obtaining a positive correlation with the true cluster means is statistically impossible. Additionally, we investigate the performance of the approximate message passing (AMP) algorithm analyzed via its state evolution, which is conjectured to be optimal among polynomial algorithm for this task. We identify in particular the existence of a statistical-to-computational gap between the algorithm that require a signal-to-noise ratio $\lambda_{\text{alg}} \ge k / \sqrt{\alpha} $ to perform better than random, and the information theoretic threshold at $\lambda_{\text{it}} \approx \sqrt{-k \rho \log{\rho}} / \sqrt{\alpha}$. Finally, we discuss the case of sub-extensive sparsity $\rho$ by comparing the performance of the AMP with other sparsity-enhancing algorithms, such as sparse-PCA and diagonal thresholding.

Deep reinforcement learning (DRL) has become a dominant deep-learning paradigm for various tasks in which complex policies are learned within reactive systems. In parallel, there has recently been significant research on verifying deep neural networks. However, to date, there has been little work demonstrating the use of modern verification tools on real, DRL-controlled systems. In this case-study paper, we attempt to begin bridging this gap, and focus on the important task of mapless robotic navigation -- a classic robotics problem, in which a robot, usually controlled by a DRL agent, needs to efficiently and safely navigate through an unknown arena towards a desired target. We demonstrate how modern verification engines can be used for effective model selection, i.e., the process of selecting the best available policy for the robot in question from a pool of candidate policies. Specifically, we use verification to detect and rule out policies that may demonstrate suboptimal behavior, such as collisions and infinite loops. We also apply verification to identify models with overly conservative behavior, thus allowing users to choose superior policies that are better at finding an optimal, shorter path to a target. To validate our work, we conducted extensive experiments on an actual robot, and confirmed that the suboptimal policies detected by our method were indeed flawed. We also compared our verification-driven approach to state-of-the-art gradient attacks, and our results demonstrate that gradient-based methods are inadequate in this setting. Our work is the first to demonstrate the use of DNN verification backends for recognizing suboptimal DRL policies in real-world robots, and for filtering out unwanted policies. We believe that the methods presented in this work can be applied to a large range of application domains that incorporate deep-learning-based agents.

Emerging from low-level vision theory, steerable filters found their counterpart in prior work on steerable convolutional neural networks equivariant to rigid transformations. In our work, we propose a steerable feed-forward learning-based approach that consists of neurons with spherical decision surfaces and operates on point clouds. Such spherical neurons are obtained by conformal embedding of Euclidean space and have recently been revisited in the context of learning representations of point sets. Focusing on 3D geometry, we exploit the isometry property of spherical neurons and derive a 3D steerability constraint. After training spherical neurons to classify point clouds in a canonical orientation, we use a tetrahedron basis to quadruplicate the neurons and construct rotation-equivariant spherical filter banks. We then apply the derived constraint to interpolate the filter bank outputs and, thus, obtain a rotation-invariant network. Finally, we use a synthetic point set and real-world 3D skeleton data to verify our theoretical findings.

Real-world data typically contain a large number of features that are often heterogeneous in nature, relevance, and also units of measure. When assessing the similarity between data points, one can build various distance measures using subsets of these features. Using the fewest features but still retaining sufficient information about the system is crucial in many statistical learning approaches, particularly when data are sparse. We introduce a statistical test that can assess the relative information retained when using two different distance measures, and determine if they are equivalent, independent, or if one is more informative than the other. This in turn allows finding the most informative distance measure out of a pool of candidates. The approach is applied to find the most relevant policy variables for controlling the Covid-19 epidemic and to find compact yet informative representations of atomic structures, but its potential applications are wide ranging in many branches of science.

Variational quantum algorithms (VQAs) are expected to establish valuable applications on near-term quantum computers. However, recent works have pointed out that the performance of VQAs greatly relies on the capability of the ansatzes and is seriously limited by optimization issues such as barren plateaus (i.e., vanishing gradients). This work proposes the state efficient ansatz (SEA) for accurate quantum dynamics simulations with improved trainability. First, we show that SEA can generate an arbitrary pure state with much fewer parameters than a universal ansatz, making it efficient for tasks like ground state estimation. It also has the flexibility in adjusting the entanglement of the prepared state, which could be applied to further improve the efficiency of simulating weak entanglement. Second, we show that SEA is not a unitary 2-design even if it has universal wavefunction expressibility and thus has great potential to improve the trainability by avoiding the zone of barren plateaus. We further investigate a plethora of examples in ground state estimation and notably obtain significant improvements in the variances of derivatives and the overall optimization behaviors. This result indicates that SEA can mitigate barren plateaus by sacrificing the redundant expressibility for the target problem.

Intelligence relies on an agent's knowledge of what it does not know. This capability can be assessed based on the quality of \textit{joint} predictions of labels across multiple inputs. Conventional neural networks lack this capability and, since most research has focused on marginal predictions, this shortcoming has been largely overlooked. We introduce the \textit{epistemic neural network} (ENN) as an interface for models that represent uncertainty as required to generate useful joint predictions. While prior approaches to uncertainty modeling such as Bayesian neural networks can be expressed as ENNs, this new interface facilitates comparison of joint predictions and the design of novel architectures and algorithms. In particular, we introduce the \textit{epinet}: an architecture that can supplement any conventional neural network, including large pretrained models, and can be trained with modest incremental computation to estimate uncertainty. With an epinet, conventional neural networks outperform very large ensembles, consisting of hundreds or more particles, with orders of magnitude less computation. We demonstrate this efficacy across synthetic data, ImageNet, and some reinforcement learning tasks. As part of this effort we open-source experiment code.

Artificial intelligence (AI) is becoming increasingly more popular and can be found in workplaces and homes around the world. The decisions made by such "black box" systems are often opaque; that is, so complex as to be functionally impossible to understand. How do we ensure that these systems are behaving as desired? TrustyAI is an initiative which looks into explainable artificial intelligence (XAI) solutions to address this issue of explainability in the context of both AI models and decision services. This paper presents the TrustyAI Explainability Toolkit, a Java and Python library that provides XAI explanations of decision services and predictive models for both enterprise and data science use-cases. We describe the TrustyAI implementations and extensions to techniques such as LIME, SHAP and counterfactuals, which are benchmarked against existing implementations in a variety of experiments.

This chapter is dedicated to the assessment and performance estimation of machine learning (ML) algorithms, a topic that is equally important to the construction of these algorithms, in particular in the context of cyberphysical security design. The literature is full of nonparametric methods to estimate a statistic from just one available dataset through resampling techniques, e.g., jackknife, bootstrap and cross validation (CV). Special statistics of great interest are the error rate and the area under the ROC curve (AUC) of a classification rule. The importance of these resampling methods stems from the fact that they require no knowledge about the probability distribution of the data or the construction details of the ML algorithm. This chapter provides a concise review of this literature to establish a coherent theoretical framework for these methods that can estimate both the error rate (a one-sample statistic) and the AUC (a two-sample statistic). The resampling methods are usually computationally expensive, because they rely on repeating the training and testing of a ML algorithm after each resampling iteration. Therefore, the practical applicability of some of these methods may be limited to the traditional ML algorithms rather than the very computationally demanding approaches of the recent deep neural networks (DNN). In the field of cyberphysical security, many applications generate structured (tabular) data, which can be fed to all traditional ML approaches. This is in contrast to the DNN approaches, which favor unstructured data, e.g., images, text, voice, etc.; hence, the relevance of this chapter to this field.%

Efficient exploration is a crucial challenge in deep reinforcement learning. Several methods, such as behavioral priors, are able to leverage offline data in order to efficiently accelerate reinforcement learning on complex tasks. However, if the task at hand deviates excessively from the demonstrated task, the effectiveness of such methods is limited. In our work, we propose to learn features from offline data that are shared by a more diverse range of tasks, such as correlation between actions and directedness. Therefore, we introduce state-independent temporal priors, which directly model temporal consistency in demonstrated trajectories, and are capable of driving exploration in complex tasks, even when trained on data collected on simpler tasks. Furthermore, we introduce a novel integration scheme for action priors in off-policy reinforcement learning by dynamically sampling actions from a probabilistic mixture of policy and action prior. We compare our approach against strong baselines and provide empirical evidence that it can accelerate reinforcement learning in long-horizon continuous control tasks under sparse reward settings.

We consider representation learning from 3D graphs in which each node is associated with a spatial position in 3D. This is an under explored area of research, and a principled framework is currently lacking. In this work, we propose a generic framework, known as the 3D graph network (3DGN), to provide a unified interface at different levels of granularity for 3D graphs. Built on 3DGN, we propose the spherical message passing (SMP) as a novel and specific scheme for realizing the 3DGN framework in the spherical coordinate system (SCS). We conduct formal analyses and show that the relative location of each node in 3D graphs is uniquely defined in the SMP scheme. Thus, our SMP represents a complete and accurate architecture for learning from 3D graphs in the SCS. We derive physically-based representations of geometric information and propose the SphereNet for learning representations of 3D graphs. We show that existing 3D deep models can be viewed as special cases of the SphereNet. Experimental results demonstrate that the use of complete and accurate 3D information in 3DGN and SphereNet leads to significant performance improvements in prediction tasks.

Selective classification is the task of rejecting inputs a model would predict incorrectly on through a trade-off between input space coverage and model accuracy. Current methods for selective classification impose constraints on either the model architecture or the loss function; this inhibits their usage in practice. In contrast to prior work, we show that state-of-the-art selective classification performance can be attained solely from studying the (discretized) training dynamics of a model. We propose a general framework that, for a given test input, monitors metrics capturing the disagreement with the final predicted label over intermediate models obtained during training; we then reject data points exhibiting too much disagreement at late stages in training. In particular, we instantiate a method that tracks when the label predicted during training stops disagreeing with the final predicted label. Our experimental evaluation shows that our method achieves state-of-the-art accuracy/coverage trade-offs on typical selective classification benchmarks. For example, we improve coverage on CIFAR-10/SVHN by 10.1%/1.5% respectively at a fixed target error of 0.5%.

Masked image modeling (MIM) as pre-training is shown to be effective for numerous vision downstream tasks, but how and where MIM works remain unclear. In this paper, we compare MIM with the long-dominant supervised pre-trained models from two perspectives, the visualizations and the experiments, to uncover their key representational differences. From the visualizations, we find that MIM brings locality inductive bias to all layers of the trained models, but supervised models tend to focus locally at lower layers but more globally at higher layers. That may be the reason why MIM helps Vision Transformers that have a very large receptive field to optimize. Using MIM, the model can maintain a large diversity on attention heads in all layers. But for supervised models, the diversity on attention heads almost disappears from the last three layers and less diversity harms the fine-tuning performance. From the experiments, we find that MIM models can perform significantly better on geometric and motion tasks with weak semantics or fine-grained classification tasks, than their supervised counterparts. Without bells and whistles, a standard MIM pre-trained SwinV2-L could achieve state-of-the-art performance on pose estimation (78.9 AP on COCO test-dev and 78.0 AP on CrowdPose), depth estimation (0.287 RMSE on NYUv2 and 1.966 RMSE on KITTI), and video object tracking (70.7 SUC on LaSOT). For the semantic understanding datasets where the categories are sufficiently covered by the supervised pre-training, MIM models can still achieve highly competitive transfer performance. With a deeper understanding of MIM, we hope that our work can inspire new and solid research in this direction.

Approximate message passing (AMP) is a low-cost iterative parameter-estimation technique for certain high-dimensional linear systems with non-Gaussian distributions. However, AMP only applies to independent identically distributed (IID) transform matrices, but may become unreliable (e.g., perform poorly or even diverge) for other matrix ensembles, especially for ill-conditioned ones. Orthogonal/vector AMP (OAMP/VAMP) was proposed for general right-unitarily-invariant matrices to handle this difficulty. However, the Bayes-optimal OAMP/VAMP (BO-OAMP/VAMP) requires a high-complexity linear minimum mean square error (MMSE) estimator. This limits the application of OAMP/VAMP to large-scale systems. To solve the disadvantages of AMP and BO-OAMP/VAMP, this paper proposes a memory AMP (MAMP) framework under an orthogonality principle, which guarantees the asymptotic IID Gaussianity of estimation errors in MAMP. We present an orthogonalization procedure for the local memory estimators to realize the required orthogonality for MAMP. Furthermore, we propose a Bayes-optimal MAMP (BO-MAMP), in which a long-memory matched filter is proposed for interference suppression. The complexity of BO-MAMP is comparable to AMP. A state evolution is derived to asymptotically characterize the performance of BO-MAMP. Based on state evolution, the relaxation parameters and damping vector in BO-MAMP are optimized. For all right-unitarily-invariant matrices, the state evolution of the optimized BO-MAMP converges to the same fixed point as that of the high-complexity BO-OAMP/VAMP and is Bayes-optimal if its state evolution has a unique fixed point. Finally, simulations are provided to verify the validity and accuracy of the theoretical results.

Page-level analysis of documents has been a topic of interest in digitization efforts, and multimodal approaches have been applied to both classification and page stream segmentation. In this work, we focus on capturing finer semantic relations between pages of a multi-page document. To this end, we formalize the task as semantic parsing of interpage relations and we propose an end-to-end approach for interpage dependency extraction, inspired by the dependency parsing literature. We further design a multi-task training approach to jointly optimize for page embeddings to be used in segmentation, classification, and parsing of the page dependencies using textual and visual features extracted from the pages. Moreover, we also combine the features from two modalities to obtain multimodal page embeddings. To the best of our knowledge, this is the first study to extract rich semantic interpage relations from multi-page documents. Our experimental results show that the proposed method increased LAS by 41 percentage points for semantic parsing, increased accuracy by 33 percentage points for page stream segmentation, and 45 percentage points for page classification over a naive baseline.

Transfer learning is a promising approach to creating predictive models that incorporate simulation and experimental data into a common framework. In this technique, a neural network is first trained on a large database of simulations, then partially retrained on sparse sets of experimental data to adjust predictions to be more consistent with reality. Previously, this technique has been used to create predictive models of Omega and NIF inertial confinement fusion (ICF) experiments that are more accurate than simulations alone. In this work, we conduct a transfer learning driven hypothetical ICF campaign in which the goal is to maximize experimental neutron yield via Bayesian optimization. The transfer learning model achieves yields within 5% of the maximum achievable yield in a modest-sized design space in fewer than 20 experiments. Furthermore, we demonstrate that this method is more efficient at optimizing designs than traditional model calibration techniques commonly employed in ICF design. Such an approach to ICF design could enable robust optimization of experimental performance under uncertainty.

Outstanding achievements of graph neural networks for spatiotemporal time series prediction show that relational constraints introduce a positive inductive bias into neural forecasting architectures. Often, however, the relational information characterizing the underlying data generating process is unavailable; the practitioner is then left with the problem of inferring from data which relational graph to use in the subsequent processing stages. We propose novel, principled -- yet practical -- probabilistic methods that learn the relational dependencies by modeling distributions over graphs while maximizing, at the same time, end-to-end the forecasting accuracy. Our novel graph learning approach, based on consolidated variance reduction techniques for Monte Carlo score-based gradient estimation, is theoretically grounded and effective. We show that tailoring the gradient estimators to the graph learning problem allows us also for achieving state-of-the-art forecasting performance while controlling, at the same time, both the sparsity of the learned graph and the computational burden. We empirically assess the effectiveness of the proposed method on synthetic and real-world benchmarks, showing that the proposed solution can be used as a stand-alone graph identification procedure as well as a learned component of an end-to-end forecasting architecture.

Incident management is a key aspect of operating large-scale cloud services. To aid with faster and efficient resolution of incidents, engineering teams document frequent troubleshooting steps in the form of Troubleshooting Guides (TSGs), to be used by on-call engineers (OCEs). However, TSGs are siloed, unstructured, and often incomplete, requiring developers to manually understand and execute necessary steps. This results in a plethora of issues such as on-call fatigue, reduced productivity, and human errors. In this work, we conduct a large-scale empirical study of over 4K+ TSGs mapped to 1000s of incidents and find that TSGs are widely used and help significantly reduce mitigation efforts. We then analyze feedback on TSGs provided by 400+ OCEs and propose a taxonomy of issues that highlights significant gaps in TSG quality. To alleviate these gaps, we investigate the automation of TSGs and propose AutoTSG -- a novel framework for automation of TSGs to executable workflows by combining machine learning and program synthesis. Our evaluation of AutoTSG on 50 TSGs shows the effectiveness in both identifying TSG statements (accuracy 0.89) and parsing them for execution (precision 0.94 and recall 0.91). Lastly, we survey ten Microsoft engineers and show the importance of TSG automation and the usefulness of AutoTSG.

Domain Adaptation (DA) has received widespread attention from deep learning researchers in recent years because of its potential to improve test accuracy with out-of-distribution labeled data. Most state-of-the-art DA algorithms require an extensive amount of hyperparameter tuning and are computationally intensive due to the large batch sizes required. In this work, we propose a fast and simple DA method consisting of three stages: (1) domain alignment by covariance matching, (2) pseudo-labeling, and (3) ensembling. We call this method $\textbf{PACE}$, for $\textbf{P}$seudo-labels, $\textbf{A}$lignment of $\textbf{C}$ovariances, and $\textbf{E}$nsembles. PACE is trained on top of fixed features extracted from an ensemble of modern pretrained backbones. PACE exceeds previous state-of-the-art by $\textbf{5 - 10 \%}$ on most benchmark adaptation tasks without training a neural network. PACE reduces training time and hyperparameter tuning time by $82\%$ and $97\%$, respectively, when compared to state-of-the-art DA methods. Code is released here: https://github.com/Chris210634/PACE-Domain-Adaptation

Statistical learning theory provides bounds on the necessary number of training samples needed to reach a prescribed accuracy in a learning problem formulated over a given target class. This accuracy is typically measured in terms of a generalization error, that is, an expected value of a given loss function. However, for several applications -- for example in a security-critical context or for problems in the computational sciences -- accuracy in this sense is not sufficient. In such cases, one would like to have guarantees for high accuracy on every input value, that is, with respect to the uniform norm. In this paper we precisely quantify the number of training samples needed for any conceivable training algorithm to guarantee a given uniform accuracy on any learning problem formulated over target classes containing (or consisting of) ReLU neural networks of a prescribed architecture. We prove that, under very general assumptions, the minimal number of training samples for this task scales exponentially both in the depth and the input dimension of the network architecture. As a corollary we conclude that the training of ReLU neural networks to high uniform accuracy is intractable. In a security-critical context this points to the fact that deep learning based systems are prone to being fooled by a possible adversary. We corroborate our theoretical findings by numerical results.

Modeling multivariate time series as temporal signals over a (possibly dynamic) graph is an effective representational framework that allows for developing models for time series analysis. In fact, discrete sequences of graphs can be processed by autoregressive graph neural networks to recursively learn representations at each discrete point in time and space. Spatiotemporal graphs are often highly sparse, with time series characterized by multiple, concurrent, and even long sequences of missing data, e.g., due to the unreliable underlying sensor network. In this context, autoregressive models can be brittle and exhibit unstable learning dynamics. The objective of this paper is, then, to tackle the problem of learning effective models to reconstruct, i.e., impute, missing data points by conditioning the reconstruction only on the available observations. In particular, we propose a novel class of attention-based architectures that, given a set of highly sparse discrete observations, learn a representation for points in time and space by exploiting a spatiotemporal diffusion architecture aligned with the imputation task. Representations are trained end-to-end to reconstruct observations w.r.t. the corresponding sensor and its neighboring nodes. Compared to the state of the art, our model handles sparse data without propagating prediction errors or requiring a bidirectional model to encode forward and backward time dependencies. Empirical results on representative benchmarks show the effectiveness of the proposed method.

This paper considers doing quantile regression on censored data using neural networks (NNs). This adds to the survival analysis toolkit by allowing direct prediction of the target variable, along with a distribution-free characterisation of uncertainty, using a flexible function approximator. We begin by showing how an algorithm popular in linear models can be applied to NNs. However, the resulting procedure is inefficient, requiring sequential optimisation of an individual NN at each desired quantile. Our major contribution is a novel algorithm that simultaneously optimises a grid of quantiles output by a single NN. To offer theoretical insight into our algorithm, we show firstly that it can be interpreted as a form of expectation-maximisation, and secondly that it exhibits a desirable `self-correcting' property. Experimentally, the algorithm produces quantiles that are better calibrated than existing methods on 10 out of 12 real datasets.

Can we use spiking neural networks (SNN) as generative models of multi-neuronal recordings, while taking into account that most neurons are unobserved? Modeling the unobserved neurons with large pools of hidden spiking neurons leads to severely underconstrained problems that are hard to tackle with maximum likelihood estimation. In this work, we use coarse-graining and mean-field approximations to derive a bottom-up, neuronally-grounded latent variable model (neuLVM), where the activity of the unobserved neurons is reduced to a low-dimensional mesoscopic description. In contrast to previous latent variable models, neuLVM can be explicitly mapped to a recurrent, multi-population SNN, giving it a transparent biological interpretation. We show, on synthetic spike trains, that a few observed neurons are sufficient for neuLVM to perform efficient model inversion of large SNNs, in the sense that it can recover connectivity parameters, infer single-trial latent population activity, reproduce ongoing metastable dynamics, and generalize when subjected to perturbations mimicking photo-stimulation.

Federated Learning (FL) is a machine learning paradigm that learns from data kept locally to safeguard the privacy of clients, whereas local SGD is typically employed on the clients' devices to improve communication efficiency. However, such a scheme is currently constrained by the slow and unstable convergence induced by clients' heterogeneous data. In this work, we identify three under-explored phenomena of the biased local learning that may explain these challenges caused by local updates in supervised FL. As a remedy, we propose FedAug, a novel unified algorithm that reduces the local learning bias on features and classifiers to tackle these challenges. FedAug consists of two components: AugMean and AugCA. AugMean alleviates the bias in the local classifiers by balancing the output distribution of models. AugCA learns client invariant features that are close to global features but considerably distinct from those learned from other input distributions. In a series of experiments, we show that FedAug consistently outperforms other SOTA FL and domain generalization (DG) baselines, in which both two components (i.e., AugMean and AugCA) have individual performance gains.

This paper introduces SigMaNet, a generalized Graph Convolutional Network (GCN) capable of handling both undirected and directed graphs with weights not restricted in sign and magnitude. The cornerstone of SigMaNet is the introduction of a generalized Laplacian matrix: the Sign-Magnetic Laplacian ($L^\sigma$). The adoption of such a matrix allows us to bridge a gap in the current literature by extending the theory of spectral GCNs to directed graphs with both positive and negative weights. $L^{\sigma}$ exhibits several desirable properties not enjoyed by the traditional Laplacian matrices on which several state-of-the-art architectures are based. In particular, $L^\sigma$ is completely parameter-free, which is not the case of Laplacian operators such as the Magnetic Laplacian $L^{(q)}$, where the calibration of the parameter q is an essential yet problematic component of the operator. $L^\sigma$ simplifies the approach, while also allowing for a natural interpretation of the signs of the edges in terms of their directions. The versatility of the proposed approach is amply demonstrated experimentally; the proposed network SigMaNet turns out to be competitive in all the tasks we considered, regardless of the graph structure.

Conventional point cloud semantic segmentation methods usually employ an encoder-decoder architecture, where mid-level features are locally aggregated to extract geometric information. However, the over-reliance on these class-agnostic local geometric representations may raise confusion between local parts from different categories that are similar in appearance or spatially adjacent. To address this issue, we argue that mid-level features can be further enhanced with semantic information, and propose semantic-affine transformation that transforms features of mid-level points belonging to different categories with class-specific affine parameters. Based on this technique, we propose SemAffiNet for point cloud semantic segmentation, which utilizes the attention mechanism in the Transformer module to implicitly and explicitly capture global structural knowledge within local parts for overall comprehension of each category. We conduct extensive experiments on the ScanNetV2 and NYUv2 datasets, and evaluate semantic-affine transformation on various 3D point cloud and 2D image segmentation baselines, where both qualitative and quantitative results demonstrate the superiority and generalization ability of our proposed approach. Code is available at https://github.com/wangzy22/SemAffiNet.

The reliability of a learning model is key to the successful deployment of machine learning in various industries. Creating a robust model, particularly one unaffected by adversarial attacks, requires a comprehensive understanding of the adversarial examples phenomenon. However, it is difficult to describe the phenomenon due to the complicated nature of the problems in machine learning. Consequently, many studies investigate the phenomenon by proposing a simplified model of how adversarial examples occur and validate it by predicting some aspect of the phenomenon. While these studies cover many different characteristics of the adversarial examples, they have not reached a holistic approach to the geometric and analytic modeling of the phenomenon. This paper propose a formal framework to study the phenomenon in learning theory and make use of complex analysis and holomorphicity to offer a robust learning rule for artificial neural networks. With the help of complex analysis, we can effortlessly move between geometric and analytic perspectives of the phenomenon and offer further insights on the phenomenon by revealing its connection with harmonic functions. Using our model, we can explain some of the most intriguing characteristics of adversarial examples, including transferability of adversarial examples, and pave the way for novel approaches to mitigate the effects of the phenomenon.

Text-to-image generation and image captioning are recently emerged as a new experimental paradigm to assess machine intelligence. They predict continuous quantity accompanied by their sampling techniques in the generation, making evaluation complicated and intractable to get marginal distributions. Based on a recent trend that multimodal generative evaluations exploit a vison-and-language pre-trained model, we propose the negative Gaussian cross-mutual information using the CLIP features as a unified metric, coined by Mutual Information Divergence (MID). To validate, we extensively compare it with competing metrics using carefully-generated or human-annotated judgments in text-to-image generation and image captioning tasks. The proposed MID significantly outperforms the competitive methods by having consistency across benchmarks, sample parsimony, and robustness toward the exploited CLIP model. We look forward to seeing the underrepresented implications of the Gaussian cross-mutual information in multimodal representation learning and the future works based on this novel proposition.

Observational data in medicine arise as a result of the complex interaction between patients and the healthcare system. The sampling process is often highly irregular and itself constitutes an informative process. When using such data to develop prediction models, this phenomenon is often ignored, leading to sub-optimal performance and generalisability of models when practices evolve. We propose a multi-task recurrent neural network which models three clinical presence dimensions -- namely the longitudinal, the inter-observation and the missingness processes -- in parallel to the survival outcome. On a prediction task using MIMIC III laboratory tests, explicit modelling of these three processes showed improved performance in comparison to state-of-the-art predictive models (C-index at 1 day horizon: 0.878). More importantly, the proposed approach was more robust to change in the clinical presence setting, demonstrated by performance comparison between patients admitted on weekdays and weekends. This analysis demonstrates the importance of studying and leveraging clinical presence to improve performance and create more transportable clinical models.

Despite the great promise that machine learning has offered in many fields of medicine, it has also raised concerns about potential biases and poor generalization across genders, age distributions, races and ethnicities, hospitals, and data acquisition equipment and protocols. In the current study, and in the context of three brain diseases, we provide experimental data which support that when properly trained, machine learning models can generalize well across diverse conditions and do not suffer from biases. Specifically, by using multi-study magnetic resonance imaging consortia for diagnosing Alzheimer's disease, schizophrenia, and autism spectrum disorder, we find that, the accuracy of well-trained models is consistent across different subgroups pertaining to attributes such as gender, age, and racial groups, as also different clinical studies. We find that models that incorporate multi-source data from demographic, clinical, genetic factors and cognitive scores are also unbiased. These models have better predictive accuracy across subgroups than those trained only with structural measures in some cases but there are also situations when these additional features do not help.

Federated learning (FL) is a paradigm where many clients collaboratively train a model under the coordination of a central server, while keeping the training data locally stored. However, heterogeneous data distributions over different clients remain a challenge to mainstream FL algorithms, which may cause slow convergence, overall performance degradation and unfairness of performance across clients. To address these problems, in this study we propose a reinforcement learning framework, called PG-FFL, which automatically learns a policy to assign aggregation weights to clients. Additionally, we propose to utilize Gini coefficient as the measure of fairness for FL. More importantly, we apply the Gini coefficient and validation accuracy of clients in each communication round to construct a reward function for the reinforcement learning. Our PG-FFL is also compatible to many existing FL algorithms. We conduct extensive experiments over diverse datasets to verify the effectiveness of our framework. The experimental results show that our framework can outperform baseline methods in terms of overall performance, fairness and convergence speed.

Variational quantum algorithms (VQAs) are among the most promising algorithms in the era of Noisy Intermediate Scale Quantum Devices. The VQAs are applied to a variety of tasks, such as in chemistry simulations, optimization problems, and quantum neural networks. Such algorithms are constructed using a parameterization U($\pmb{\theta}$) with a classical optimizer that updates the parameters $\pmb{\theta}$ in order to minimize a cost function $C$. For this task, in general the gradient descent method, or one of its variants, is used. This is a method where the circuit parameters are updated iteratively using the cost function gradient. However, several works in the literature have shown that this method suffers from a phenomenon known as the Barren Plateaus (BP). This phenomenon is characterized by the exponentially flattening of the cost function landscape, so that the number of times the function must be evaluated to perform the optimization grows exponentially as the number of qubits and parameterization depth increase. In this article, we report on how the use of a classical neural networks in the VQAs input parameters can alleviate the BP phenomenon.

This paper deals with deep transductive learning, and proposes TransBoost as a procedure for fine-tuning any deep neural model to improve its performance on any (unlabeled) test set provided at training time. TransBoost is inspired by a large margin principle and is efficient and simple to use. The ImageNet classification performance is consistently and significantly improved with TransBoost on many architectures such as ResNets, MobileNetV3-L, EfficientNetB0, ViT-S, and ConvNext-T. Additionally we show that TransBoost is effective on a wide variety of image classification datasets.

Deep neural networks are vulnerable to Trojan attacks. Existing attacks use visible patterns (e.g., a patch or image transformations) as triggers, which are vulnerable to human inspection. In this paper, we propose stealthy and efficient Trojan attacks, BppAttack. Based on existing biology literature on human visual systems, we propose to use image quantization and dithering as the Trojan trigger, making imperceptible changes. It is a stealthy and efficient attack without training auxiliary models. Due to the small changes made to images, it is hard to inject such triggers during training. To alleviate this problem, we propose a contrastive learning based approach that leverages adversarial attacks to generate negative sample pairs so that the learned trigger is precise and accurate. The proposed method achieves high attack success rates on four benchmark datasets, including MNIST, CIFAR-10, GTSRB, and CelebA. It also effectively bypasses existing Trojan defenses and human inspection. Our code can be found in https://github.com/RU-System-Software-and-Security/BppAttack.

E-commerce is the fastest-growing segment of the economy. Online reviews play a crucial role in helping consumers evaluate and compare products and services. As a result, fake reviews (opinion spam) are becoming more prevalent and negatively impacting customers and service providers. There are many reasons why it is hard to identify opinion spammers automatically, including the absence of reliable labeled data. This limitation precludes an off-the-shelf application of a machine learning pipeline. We propose a new method for classifying reviewers as spammers or benign, combining machine learning with a message-passing algorithm that capitalizes on the users' graph structure to compensate for the possible scarcity of labeled data. We devise a new way of sampling the labels for the training step (active learning), replacing the typical uniform sampling. Experiments on three large real-world datasets from Yelp.com show that our method outperforms state-of-the-art active learning approaches and also machine learning methods that use a much larger set of labeled data for training.

Generalizing to new populations and domains in machine learning is still an open problem which has seen increased interest recently. In particular, clinical models show a significant performance drop when tested in settings not seen during training, e.g., new hospitals or population demographics. Recently proposed models for domain generalisation promise to alleviate this problem by learning invariant characteristics across environments, however, there is still scepticism about whether they improve over traditional training. In this work, we take a principled approach to identifying Out of Distribution (OoD) environments, motivated by the problem of cross-hospital generalization in critical care. We propose model-based and heuristic approaches to identify OoD environments and systematically compare models with different levels of held-out information. In particular, based on the assumption that models with access to OoD data should outperform other models, we train models across a range of experimental setups that include leave-one-hospital-out training and cross-sectional feature splits. We find that access to OoD data does not translate to increased performance, pointing to inherent limitations in defining potential OoD environments in the eICU Database potentially due to data harmonisation and sampling. Echoing similar results with other popular clinical benchmarks in the literature, new approaches are required to evaluate robust models in critical care.

Long-Tailed Semi-Supervised Learning (LTSSL) aims to learn from class-imbalanced data where only a few samples are annotated. Existing solutions typically require substantial cost to solve complex optimization problems, or class-balanced undersampling which can result in information loss. In this paper, we present the TRAS (TRAnsfer and Share) to effectively utilize long-tailed semi-supervised data. TRAS transforms the imbalanced pseudo-label distribution of a traditional SSL model via a delicate function to enhance the supervisory signals for minority classes. It then transfers the distribution to a target model such that the minority class will receive significant attention. Interestingly, TRAS shows that more balanced pseudo-label distribution can substantially benefit minority-class training, instead of seeking to generate accurate pseudo-labels as in previous works. To simplify the approach, TRAS merges the training of the traditional SSL model and the target model into a single procedure by sharing the feature extractor, where both classifiers help improve the representation learning. According to extensive experiments, TRAS delivers much higher accuracy than state-of-the-art methods in the entire set of classes as well as minority classes.

In continual and lifelong learning, good representation learning can help increase performance and reduce sample complexity when learning new tasks. There is evidence that representations do not suffer from "catastrophic forgetting" even in plain continual learning, but little further fact is known about its characteristics. In this paper, we aim to gain more understanding about representation learning in continual learning, especially on the feature forgetting problem. We devise a protocol for evaluating representation in continual learning, and then use it to present an overview of the basic trends of continual representation learning, showing its consistent deficiency and potential issues. To study the feature forgetting problem, we create a synthetic dataset to identify and visualize the prevalence of feature forgetting in neural networks. Finally, we propose a simple technique using gating adapters to mitigate feature forgetting. We conclude by discussing that improving representation learning benefits both old and new tasks in continual learning.

The most popular design paradigm for Graph Neural Networks (GNNs) is 1-hop message passing -- aggregating features from 1-hop neighbors repeatedly. However, the expressive power of 1-hop message passing is bounded by the Weisfeiler-Lehman (1-WL) test. Recently, researchers extended 1-hop message passing to K-hop message passing by aggregating information from K-hop neighbors of nodes simultaneously. However, there is no work on analyzing the expressive power of K-hop message passing. In this work, we theoretically characterize the expressive power of K-hop message passing. Specifically, we first formally differentiate two kinds of kernels of K-hop message passing which are often misused in previous works. We then characterize the expressive power of K-hop message passing by showing that it is more powerful than 1-hop message passing. Despite the higher expressive power, we show that K-hop message passing still cannot distinguish some simple regular graphs. To further enhance its expressive power, we introduce a KP-GNN framework, which improves K-hop message passing by leveraging the peripheral subgraph information in each hop. We prove that KP-GNN can distinguish almost all regular graphs including some distance regular graphs which could not be distinguished by previous distance encoding methods. Experimental results verify the expressive power and effectiveness of KP-GNN. KP-GNN achieves competitive results across all benchmark datasets.

Uncertainty estimation for unlabeled data is crucial to active learning. With a deep neural network employed as the backbone model, the data selection process is highly challenging due to the potential over-confidence of the model inference. Existing methods resort to special learning fashions (e.g. adversarial) or auxiliary models to address this challenge. This tends to result in complex and inefficient pipelines, which would render the methods impractical. In this work, we propose a novel algorithm that leverages noise stability to estimate data uncertainty in a Single-Training Multi-Inference fashion. The key idea is to measure the output derivation from the original observation when the model parameters are randomly perturbed by noise. We provide theoretical analyses by leveraging the small Gaussian noise theory and demonstrate that our method favors a subset with large and diverse gradients. Despite its simplicity, our method outperforms the state-of-the-art active learning baselines in various tasks, including computer vision, natural language processing, and structural data analysis.

Distributed Mean Estimation (DME) is a fundamental building block in communication efficient federated learning. In DME, clients communicate their lossily compressed gradients to the parameter server, which estimates the average and updates the model. State of the art DME techniques apply either unbiased quantization methods, resulting in large estimation errors, or biased quantization methods, where unbiasing the result requires that the server decodes each gradient individually, which markedly slows the aggregation time. In this paper, we propose QUIC-FL, a DME algorithm that achieves the best of all worlds. QUIC-FL is unbiased, offers fast aggregation time, and is competitive with the most accurate (slow aggregation) DME techniques. To achieve this, we formalize the problem in a novel way that allows us to use standard solvers to design near-optimal unbiased quantization schemes.

This paper features convolutional neural networks defined on hypercomplex algebras applied to classify lymphocytes in blood smear digital microscopic images. Such classification is helpful for the diagnosis of acute lymphoblast leukemia (ALL), a type of blood cancer. We perform the classification task using eight hypercomplex-valued convolutional neural networks (HvCNNs) along with real-valued convolutional networks. Our results show that HvCNNs perform better than the real-valued model, showcasing higher accuracy with a much smaller number of parameters. Moreover, we found that HvCNNs based on Clifford algebras processing HSV-encoded images attained the highest observed accuracies. Precisely, our HvCNN yielded an average accuracy rate of 96.6% using the ALL-IDB2 dataset with a 50% train-test split, a value extremely close to the state-of-the-art models but using a much simpler architecture with significantly fewer parameters.

The Fine-Grained Visual Categorization (FGVC) is challenging because the subtle inter-class variations are difficult to be captured. One notable research line uses the Global Covariance Pooling (GCP) layer to learn powerful representations with second-order statistics, which can effectively model inter-class differences. In our previous conference paper, we show that truncating small eigenvalues of the GCP covariance can attain smoother gradient and improve the performance on large-scale benchmarks. However, on fine-grained datasets, truncating the small eigenvalues would make the model fail to converge. This observation contradicts the common assumption that the small eigenvalues merely correspond to the noisy and unimportant information. Consequently, ignoring them should have little influence on the performance. To diagnose this peculiar behavior, we propose two attribution methods whose visualizations demonstrate that the seemingly unimportant small eigenvalues are crucial as they are in charge of extracting the discriminative class-specific features. Inspired by this observation, we propose a network branch dedicated to magnifying the importance of small eigenvalues. Without introducing any additional parameters, this branch simply amplifies the small eigenvalues and achieves state-of-the-art performances of GCP methods on three fine-grained benchmarks. Furthermore, the performance is also competitive against other FGVC approaches on larger datasets. Code is available at \href{https://github.com/KingJamesSong/DifferentiableSVD}{https://github.com/KingJamesSong/DifferentiableSVD}.

We consider a fair representation learning perspective, where optimal predictors, on top of the data representation, are ensured to be invariant with respect to different sub-groups. Specifically, we formulate this intuition as a bi-level optimization, where the representation is learned in the outer-loop, and invariant optimal group predictors are updated in the inner-loop. Moreover, the proposed bi-level objective is demonstrated to fulfill the sufficiency rule, which is desirable in various practical scenarios but was not commonly studied in the fair learning. Besides, to avoid the high computational and memory cost of differentiating in the inner-loop of bi-level objective, we propose an implicit path alignment algorithm, which only relies on the solution of inner optimization and the implicit differentiation rather than the exact optimization path. We further analyze the error gap of the implicit approach and empirically validate the proposed method in both classification and regression settings. Experimental results show the consistently better trade-off in prediction performance and fairness measurement.

Meta-learning hyperparameter optimization (HPO) algorithms from prior experiments is a promising approach to improve optimization efficiency over objective functions from a similar distribution. However, existing methods are restricted to learning from experiments sharing the same set of hyperparameters. In this paper, we introduce the OptFormer, the first text-based Transformer HPO framework that provides a universal end-to-end interface for jointly learning policy and function prediction when trained on vast tuning data from the wild. Our extensive experiments demonstrate that the OptFormer can imitate at least 7 different HPO algorithms, which can be further improved via its function uncertainty estimates. Compared to a Gaussian Process, the OptFormer also learns a robust prior distribution for hyperparameter response functions, and can thereby provide more accurate and better calibrated predictions. This work paves the path to future extensions for training a Transformer-based model as a general HPO optimizer.

In the context of supervised machine learning a learning curve describes how a model's performance on unseen data relates to the amount of samples used to train the model. In this paper we present a dataset of plant images with representatives of crops and weeds common to the Manitoba prairies at different growth stages. We determine the learning curve for a classification task on this data with the ResNet architecture. Our results are in accordance with previous studies and add to the evidence that learning curves are governed by power-law relationships over large scales, applications, and models. We further investigate how label noise and the reduction of trainable parameters impacts the learning curve on this dataset. Both effects lead to the model requiring disproportionally larger training sets to achieve the same classification performance as observed without these effects.

The widely used gene quantisation technique, Lateral Flow Device (LFD), is now commonly used to detect the presence of SARS-CoV-2. It is enabling the control and prevention of the spread of the virus. Depending on the viral load, LFD have different sensitivity and self-test for normal user present additional challenge to interpret the result. With the evolution of machine learning algorithms, image processing and analysis has seen unprecedented growth. In this interdisciplinary study, we employ novel image analysis methods of computer vision and machine learning field to study visual features of the control region of LFD. Here, we automatically derive results for any image containing LFD into positive, negative or inconclusive. This will reduce the burden of human involvement of health workers and perception bias.

Recent contrastive learning methods have shown to be effective in various tasks, learning generalizable representations invariant to data augmentation thereby leading to state of the art performances. Regarding the multifaceted nature of large unlabeled data used in self-supervised learning while majority of real-word downstream tasks use single format of data, a multimodal framework that can train single modality to learn diverse perspectives from other modalities is an important challenge. In this paper, we propose TriCL (Triangular Contrastive Learning), a universal framework for trimodal contrastive learning. TriCL takes advantage of Triangular Area Loss, a novel intermodal contrastive loss that learns the angular geometry of the embedding space through simultaneously contrasting the area of positive and negative triplets. Systematic observation on embedding space in terms of alignment and uniformity showed that Triangular Area Loss can address the line-collapsing problem by discriminating modalities by angle. Our experimental results also demonstrate the outperformance of TriCL on downstream task of molecular property prediction which implies that the advantages of the embedding space indeed benefits the performance on downstream tasks.

While classical in many theoretical settings, the assumption of Gaussian i.i.d. inputs is often perceived as a strong limitation in the analysis of high-dimensional learning. In this study, we redeem this line of work in the case of generalized linear classification with random labels. Our main contribution is a rigorous proof that data coming from a range of generative models in high-dimensions have the same minimum training loss as Gaussian data with corresponding data covariance. In particular, our theorem covers data created by an arbitrary mixture of homogeneous Gaussian clouds, as well as multi-modal generative neural networks. In the limit of vanishing regularization, we further demonstrate that the training loss is independent of the data covariance. Finally, we show that this universality property is observed in practice with real datasets and random labels.

The main aim of Privacy-Preserving Machine Learning (PPML) is to protect the privacy and provide security to the data used in building Machine Learning models. There are various techniques in PPML such as Secure Multi-Party Computation, Differential Privacy, and Homomorphic Encryption (HE). The techniques are combined with various Machine Learning models and even Deep Learning Networks to protect the data privacy as well as the identity of the user. In this paper, we propose a fully homomorphic encrypted wavelet neural network to protect privacy and at the same time not compromise on the efficiency of the model. We tested the effectiveness of the proposed method on seven datasets taken from the finance and healthcare domains. The results show that our proposed model performs similarly to the unencrypted model.

Recently, many works have demonstrated that Symmetric Non-negative Matrix Factorization~(SymNMF) enjoys a great superiority for various clustering tasks. Although the state-of-the-art algorithms for SymNMF perform well on synthetic data, they cannot consistently obtain satisfactory results with desirable properties and may fail on real-world tasks like clustering. Considering the flexibility and strong representation ability of the neural network, in this paper, we propose a neural network called SymNMF-Net for the Symmetric NMF problem to overcome the shortcomings of traditional optimization algorithms. Each block of SymNMF-Net is a differentiable architecture with an inversion layer, a linear layer and ReLU, which are inspired by a traditional update scheme for SymNMF. We show that the inference of each block corresponds to a single iteration of the optimization. Furthermore, we analyze the constraints of the inversion layer to ensure the output stability of the network to a certain extent. Empirical results on real-world datasets demonstrate the superiority of our SymNMF-Net and confirm the sufficiency of our theoretical analysis.

Obtaining gold standard annotated data for object detection is often costly, involving human-level effort. Semi-supervised object detection algorithms solve the problem with a small amount of gold-standard labels and a large unlabelled dataset used to generate silver-standard labels. But training on the silver standard labels does not produce good results, because they are machine-generated annotations. In this work, we design a modified loss function to train on large silver standard annotated sets generated by a weak annotator. We include a confidence metric associated with the annotation as an additional term in the loss function, signifying the quality of the annotation. We test the effectiveness of our approach on various test sets and use numerous variations to compare the results with some of the current approaches to object detection. In comparison with the baseline where no confidence metric is used, we achieved a 4\% gain in mAP with 25\% labeled data and 10\% gain in mAP with 50\% labeled data by using the proposed confidence metric.

Creating agents that can interact naturally with humans is a common goal in artificial intelligence (AI) research. However, evaluating these interactions is challenging: collecting online human-agent interactions is slow and expensive, yet faster proxy metrics often do not correlate well with interactive evaluation. In this paper, we assess the merits of these existing evaluation metrics and present a novel approach to evaluation called the Standardised Test Suite (STS). The STS uses behavioural scenarios mined from real human interaction data. Agents see replayed scenario context, receive an instruction, and are then given control to complete the interaction offline. These agent continuations are recorded and sent to human annotators to mark as success or failure, and agents are ranked according to the proportion of continuations in which they succeed. The resulting STS is fast, controlled, interpretable, and representative of naturalistic interactions. Altogether, the STS consolidates much of what is desirable across many of our standard evaluation metrics, allowing us to accelerate research progress towards producing agents that can interact naturally with humans. https://youtu.be/YR1TngGORGQ

Pre-trained BERT models have achieved impressive performance in many natural language processing (NLP) tasks. However, in many real-world situations, textual data are usually decentralized over many clients and unable to be uploaded to a central server due to privacy protection and regulations. Federated learning (FL) enables multiple clients collaboratively to train a global model while keeping the local data privacy. A few researches have investigated BERT in federated learning setting, but the problem of performance loss caused by heterogeneous (e.g., non-IID) data over clients remain under-explored. To address this issue, we propose a framework, FedSplitBERT, which handles heterogeneous data and decreases the communication cost by splitting the BERT encoder layers into local part and global part. The local part parameters are trained by the local client only while the global part parameters are trained by aggregating gradients of multiple clients. Due to the sheer size of BERT, we explore a quantization method to further reduce the communication cost with minimal performance loss. Our framework is ready-to-use and compatible to many existing federated learning algorithms, including FedAvg, FedProx and FedAdam. Our experiments verify the effectiveness of the proposed framework, which outperforms baseline methods by a significant margin, while FedSplitBERT with quantization can reduce the communication cost by $11.9\times$.

We investigate the effect of task ordering on continual learning performance. We conduct an extensive series of empirical experiments on synthetic and naturalistic datasets and show that reordering tasks significantly affects the amount of catastrophic forgetting. Connecting to the field of curriculum learning, we show that the effect of task ordering can be exploited to modify continual learning performance, and present a simple approach for doing so. Our method computes the distance between all pairs of tasks, where distance is defined as the source task curvature of a gradient step toward the target task. Using statistically rigorous methods and sound experimental design, we show that task ordering is an important aspect of continual learning that can be modified for improved performance.

Reliably detecting diseases using relevant biological information is crucial for real-world applicability of deep learning techniques in medical imaging. We debias deep learning models during training against unknown bias - without preprocessing/filtering the input beforehand or assuming specific knowledge about its distribution or precise nature in the dataset. We use control regions as surrogates that carry information regarding the bias, employ the classifier model to extract features, and suppress biased intermediate features with our custom, modular DecorreLayer. We evaluate our method on a dataset of 952 lung computed tomography scans by introducing simulated biases w.r.t. reconstruction kernel and noise level and propose including an adversarial test set in evaluations of bias reduction techniques. In a moderately sized model architecture, applying the proposed method to learn from data exhibiting a strong bias, it near-perfectly recovers the classification performance observed when training with corresponding unbiased data.

Speaker verification (SV) aims to determine whether the speaker's identity of a test utterance is the same as the reference speech. In the past few years, extracting speaker embeddings using deep neural networks for SV systems has gone mainstream. Recently, different attention mechanisms and Transformer networks have been explored widely in SV fields. However, utilizing the original Transformer in SV directly may have frame-level information waste on output features, which could lead to restrictions on capacity and discrimination of speaker embeddings. Therefore, we propose an approach to derive utterance-level speaker embeddings via a Transformer architecture that uses a novel loss function named diffluence loss to integrate the feature information of different Transformer layers. Therein, the diffluence loss aims to aggregate frame-level features into an utterance-level representation, and it could be integrated into the Transformer expediently. Besides, we also introduce a learnable mel-fbank energy feature extractor named time-domain feature extractor that computes the mel-fbank features more precisely and efficiently than the standard mel-fbank extractor. Combining Diffluence loss and Time-domain feature extractor, we propose a novel Transformer-based time-domain SV model (DT-SV) with faster training speed and higher accuracy. Experiments indicate that our proposed model can achieve better performance in comparison with other models.

This paper proposes a novel collaborative distillation meta learning (CDML) framework for simulation intensive hardware design problems. Deep reinforcement learning (DRL) has shown promising performance in various hardware design problems. However, previous works on DRL-based hardware design only dealt with problems with simplified objectives, which are not practical. In fact, the objective evaluation of real-world electrical performance through simulation is costly in terms of both time and computation, making DRL scheme involving extensive reward calculations not suitable. In this paper, we apply the CDML framework to decoupling capacitor placement problem (DPP), one of the significant simulation intensive hardware design problems. The CDML framework consists of a context-based meta learner and collaborative distillation scheme to produce a reusable solver. The context-based meta learner captures the location of probing port (i.e., target circuit block) and improves generalization capability. The collaborative distillation scheme with equivariant label transformation imposes the action-permutation (AP)-equivariant nature of placement problems, which not only improves sample efficiency but also improves generalization capability. Extensive experimental results verified that our CDML outperforms both neural baselines and iterative conventional design methods in terms of real-world objective, power integrity, with zero-shot transfer-ability.

Real-world applications require the classification model to adapt to new classes without forgetting old ones. Correspondingly, Class-Incremental Learning (CIL) aims to train a model with limited memory size to meet this requirement. Typical CIL methods tend to save representative exemplars from former classes to resist forgetting, while recent works find that storing models from history can substantially boost the performance. However, the stored models are not counted into the memory budget, which implicitly results in unfair comparisons. We find that when counting the model size into the total budget and comparing methods with aligned memory size, saving models do not consistently work, especially for the case with limited memory budgets. As a result, we need to holistically evaluate different CIL methods at different memory scales and simultaneously consider accuracy and memory size for measurement. On the other hand, we dive deeply into the construction of the memory buffer for memory efficiency. By analyzing the effect of different layers in the network, we find that shallow and deep layers have different characteristics in CIL. Motivated by this, we propose a simple yet effective baseline, denoted as MEMO for Memory-efficient Expandable MOdel. MEMO extends specialized layers based on the shared generalized representations, efficiently extracting diverse representations with modest cost and maintaining representative exemplars. Extensive experiments on benchmark datasets validate MEMO's competitive performance.

Continual Learning (CL) is the research field addressing learning without forgetting when the data distribution is not static. This paper studies spurious features' influence on continual learning algorithms. We show that continual learning algorithms solve tasks by selecting features that are not generalizable. Our experiments highlight that continual learning algorithms face two related problems: (1) spurious features and (2) local spurious features. The first one is due to a covariate shift between training and testing data, while the second is due to the limited access to data at each training step. We study (1) through a consistent set of continual learning experiments varying spurious correlation amount and data distribution support. We show that (2) is a major cause of performance decrease in continual learning along with catastrophic forgetting. This paper presents a different way of understanding performance decrease in continual learning by highlighting the influence of (local) spurious features in algorithms capabilities.

Quantum devices with low qubits are common in the Noisy Intermediate-Scale Quantum (NISQ) era. However, Quantum Neural Network (QNN) running on low-qubit quantum devices would be difficult since it is based on Variational Quantum Circuit (VQC), which requires many qubits. Therefore, it is critical to make QNN with VQC run on low-qubit quantum devices. In this study, we propose a novel VQC called the low-qubit VQC. VQC requires numerous qubits based on the input dimension; however, the low-qubit VQC with linear transformation can liberate this condition. Thus, it allows the QNN to run on low-qubit quantum devices for speech applications. Furthermore, as compared to the VQC, our proposed low-qubit VQC can stabilize the training process more. Based on the low-qubit VQC, we implement QSpeech, a library for quick prototyping of hybrid quantum-classical neural networks in the speech field. It has numerous quantum neural layers and QNN models for speech applications. Experiments on Speech Command Recognition and Text-to-Speech show that our proposed low-qubit VQC outperforms VQC and is more stable.

Self-Supervised Learning (SSL) surmises that inputs and pairwise positive relationships are enough to learn meaningful representations. Although SSL has recently reached a milestone: outperforming supervised methods in many modalities\dots the theoretical foundations are limited, method-specific, and fail to provide principled design guidelines to practitioners. In this paper, we propose a unifying framework under the helm of spectral manifold learning to address those limitations. Through the course of this study, we will rigorously demonstrate that VICReg, SimCLR, BarlowTwins et al. correspond to eponymous spectral methods such as Laplacian Eigenmaps, Multidimensional Scaling et al. This unification will then allow us to obtain (i) the closed-form optimal representation for each method, (ii) the closed-form optimal network parameters in the linear regime for each method, (iii) the impact of the pairwise relations used during training on each of those quantities and on downstream task performances, and most importantly, (iv) the first theoretical bridge between contrastive and non-contrastive methods towards global and local spectral embedding methods respectively, hinting at the benefits and limitations of each. For example, (i) if the pairwise relation is aligned with the downstream task, any SSL method can be employed successfully and will recover the supervised method, but in the low data regime, VICReg's invariance hyper-parameter should be high; (ii) if the pairwise relation is misaligned with the downstream task, VICReg with small invariance hyper-parameter should be preferred over SimCLR or BarlowTwins.

For deep reinforcement learning (RL) from pixels, learning effective state representations is crucial for achieving high performance. However, in practice, limited experience and high-dimensional input prevent effective representation learning. To address this, motivated by the success of masked modeling in other research fields, we introduce mask-based reconstruction to promote state representation learning in RL. Specifically, we propose a simple yet effective self-supervised method, Mask-based Latent Reconstruction (MLR), to predict the complete state representations in the latent space from the observations with spatially and temporally masked pixels. MLR enables the better use of context information when learning state representations to make them more informative, which facilitates RL agent training. Extensive experiments show that our MLR significantly improves the sample efficiency in RL and outperforms the state-of-the-art sample-efficient RL methods on multiple continuous and discrete control benchmarks. The code will be released soon.

Over the last few years, the Shapley value, a solution concept from cooperative game theory, has found numerous applications in machine learning. In this paper, we first discuss fundamental concepts of cooperative game theory and axiomatic properties of the Shapley value. Then we give an overview of the most important applications of the Shapley value in machine learning: feature selection, explainability, multi-agent reinforcement learning, ensemble pruning, and data valuation. We examine the most crucial limitations of the Shapley value and point out directions for future research.

Deep learning techniques have shown promising results in image compression, with competitive bitrate and image reconstruction quality from compressed latent. However, while image compression has progressed towards higher peak signal-to-noise ratio (PSNR) and fewer bits per pixel (bpp), their robustness to corner-case images has never received deliberation. In this work, we, for the first time, investigate the robustness of image compression systems where imperceptible perturbation of input images can precipitate a significant increase in the bitrate of their compressed latent. To characterize the robustness of state-of-the-art learned image compression, we mount white and black-box attacks. Our results on several image compression models with various bitrate qualities show that they are surprisingly fragile, where the white-box attack achieves up to 56.326x and black-box 1.947x bpp change. To improve robustness, we propose a novel model which incorporates attention modules and a basic factorized entropy model, resulting in a promising trade-off between the PSNR/bpp ratio and robustness to adversarial attacks that surpasses existing learned image compressors.

The workhorse of machine learning is stochastic gradient descent. To access stochastic gradients, it is common to consider iteratively input/output pairs of a training dataset. Interestingly, it appears that one does not need full supervision to access stochastic gradients, which is the main motivation of this paper. After formalizing the "active labeling" problem, which generalizes active learning based on partial supervision, we provide a streaming technique that provably minimizes the ratio of generalization error over number of samples. We illustrate our technique in depth for robust regression.

We present a reward-predictive, model-based deep learning method featuring trajectory-constrained visual attention for local planning in visual navigation tasks. Our method learns to place visual attention at locations in latent image space which follow trajectories caused by vehicle control actions to enhance predictive accuracy during planning. The attention model is jointly optimized by the task-specific loss and an additional trajectory-constraint loss, allowing adaptability yet encouraging a regularized structure for improved generalization and reliability. Importantly, visual attention is applied in latent feature map space instead of raw image space to promote efficient planning. We validated our model in visual navigation tasks of planning low turbulence, collision-free trajectories in off-road settings and hill climbing with locking differentials in the presence of slippery terrain. Experiments involved randomized procedural generated simulation and real-world environments. We found our method improved generalization and learning efficiency when compared to no-attention and self-attention alternatives.

As a randomized learner model, SCNs are remarkable that the random weights and biases are assigned employing a supervisory mechanism to ensure universal approximation and fast learning. However, the randomness makes SCNs more likely to generate approximate linear correlative nodes that are redundant and low quality, thereby resulting in non-compact network structure. In the light of a fundamental principle in machine learning, that is, a model with fewer parameters holds improved generalization. This paper proposes orthogonal SCN, termed OSCN, to filtrate out the low-quality hidden nodes for network structure reduction by incorporating Gram-Schmidt orthogonalization technology. The universal approximation property of OSCN and an adaptive setting for the key construction parameters have been presented in details. In addition, an incremental updating scheme is developed to dynamically determine the output weights, contributing to improved computational efficiency. Finally, experimental results on two numerical examples and several real-world regression and classification datasets substantiate the effectiveness and feasibility of the proposed approach.

We propose to address quadrupedal locomotion tasks using Reinforcement Learning (RL) with a Transformer-based model that learns to combine proprioceptive information and high-dimensional depth sensor inputs. While learning-based locomotion has made great advances using RL, most methods still rely on domain randomization for training blind agents that generalize to challenging terrains. Our key insight is that proprioceptive states only offer contact measurements for immediate reaction, whereas an agent equipped with visual sensory observations can learn to proactively maneuver environments with obstacles and uneven terrain by anticipating changes in the environment many steps ahead. In this paper, we introduce LocoTransformer, an end-to-end RL method that leverages both proprioceptive states and visual observations for locomotion control. We evaluate our method in challenging simulated environments with different obstacles and uneven terrain. We transfer our learned policy from simulation to a real robot by running it indoors and in the wild with unseen obstacles and terrain. Our method not only significantly improves over baselines, but also achieves far better generalization performance, especially when transferred to the real robot. Our project page with videos is at https://rchalyang.github.io/LocoTransformer/ .

Fermionic neural network (FermiNet) is a recently proposed wavefunction Ansatz, which is used in variational Monte Carlo (VMC) methods to solve the many-electron Schr\"odinger equation. FermiNet proposes permutation-equivariant architectures, on which a Slater determinant is applied to induce antisymmetry. FermiNet is proved to have universal approximation capability with a single determinant, namely, it suffices to represent any antisymmetric function given sufficient parameters. However, the asymptotic computational bottleneck comes from the Slater determinant, which scales with $O(N^3)$ for $N$ electrons. In this paper, we substitute the Slater determinant with a pairwise antisymmetry construction, which is easy to implement and can reduce the computational cost to $O(N^2)$. Furthermore, we formally prove that the pairwise construction built upon permutation-equivariant architectures can universally represent any antisymmetric function.

While mixture of linear regressions (MLR) is a well-studied topic, prior works usually do not analyze such models for prediction error. In fact, {\em prediction} and {\em loss} are not well-defined in the context of mixtures. In this paper, first we show that MLR can be used for prediction where instead of predicting a label, the model predicts a list of values (also known as {\em list-decoding}). The list size is equal to the number of components in the mixture, and the loss function is defined to be minimum among the losses resulted by all the component models. We show that with this definition, a solution of the empirical risk minimization (ERM) achieves small probability of prediction error. This begs for an algorithm to minimize the empirical risk for MLR, which is known to be computationally hard. Prior algorithmic works in MLR focus on the {\em realizable} setting, i.e., recovery of parameters when data is probabilistically generated by a mixed linear (noisy) model. In this paper we show that a version of the popular alternating minimization (AM) algorithm finds the best fit lines in a dataset even when a realizable model is not assumed, under some regularity conditions on the dataset and the initial points, and thereby provides a solution for the ERM. We further provide an algorithm that runs in polynomial time in the number of datapoints, and recovers a good approximation of the best fit lines. The two algorithms are experimentally compared.

Geologic cores are rock samples that are extracted from deep under the ground during the well drilling process. They are used for petroleum reservoirs' performance characterization. Traditionally, physical studies of cores are carried out by the means of manual time-consuming experiments. With the development of deep learning, scientists actively started working on developing machine-learning-based approaches to identify physical properties without any manual experiments. Several previous works used machine learning to determine the porosity and permeability of the rocks, but either method was inaccurate or computationally expensive. We are proposing to use self-supervised pretraining of the very small CNN-transformer-based model to predict the physical properties of the rocks with high accuracy in a time-efficient manner. We show that this technique prevents overfitting even for extremely small datasets.

The manifold assumption for high-dimensional data assumes that the data is generated by varying a set of parameters obtained from a low-dimensional latent space. Deep generative models (DGMs) are widely used to learn data representations in an unsupervised way. DGMs parameterize the underlying low-dimensional manifold in the data space using bottleneck architectures such as variational autoencoders (VAEs). The bottleneck dimension for VAEs is treated as a hyperparameter that depends on the dataset and is fixed at design time after extensive tuning. As the intrinsic dimensionality of most real-world datasets is unknown, often, there is a mismatch between the intrinsic dimensionality and the latent dimensionality chosen as a hyperparameter. This mismatch can negatively contribute to the model performance for representation learning and sample generation tasks. This paper proposes relevance encoding networks (RENs): a novel probabilistic VAE-based framework that uses the automatic relevance determination (ARD) prior in the latent space to learn the data-specific bottleneck dimensionality. The relevance of each latent dimension is directly learned from the data along with the other model parameters using stochastic gradient descent and a reparameterization trick adapted to non-Gaussian priors. We leverage the concept of DeepSets to capture permutation invariant statistical properties in both data and latent spaces for relevance determination. The proposed framework is general and flexible and can be used for the state-of-the-art VAE models that leverage regularizers to impose specific characteristics in the latent space (e.g., disentanglement). With extensive experimentation on synthetic and public image datasets, we show that the proposed model learns the relevant latent bottleneck dimensionality without compromising the representation and generation quality of the samples.

This paper presents a solution to a predict then optimise problem which goal is to reduce the electricity cost of a university campus. The proposed methodology combines a multi-dimensional time series forecast and a novel approach to large-scale optimization. Gradient-boosting method is applied to forecast both generation and consumption time-series of the Monash university campus for the month of November 2020. For the consumption forecasts we employ log transformation to model trend and stabilize variance. Additional seasonality and trend features are added to the model inputs when applicable. The forecasts obtained are used as the base load for the schedule optimisation of university activities and battery usage. The goal of the optimisation is to minimize the electricity cost consisting of the price of electricity and the peak electricity tariff both altered by the load from class activities and battery use as well as the penalty of not scheduling some optional activities. The schedule of the class activities is obtained through evolutionary optimisation using the covariance matrix adaptation evolution strategy and the genetic algorithm. This schedule is then improved through local search by testing possible times for each activity one-by-one. The battery schedule is formulated as a mixed-integer programming problem and solved by the Gurobi solver. This method obtains the second lowest cost when evaluated against 6 other methods presented at an IEEE competition that all used mixed-integer programming and the Gurobi solver to schedule both the activities and the battery use. The code and data used for the paper are publicly available.

Nonlinear dynamics is ubiquitous in nature and commonly seen in various science and engineering disciplines. Distilling analytical expressions that govern nonlinear dynamics from limited data remains vital but challenging. To tackle this fundamental issue, we propose a novel Symbolic Physics Learner (SPL) machine to discover the mathematical structure of nonlinear dynamics. The key concept is to interpret mathematical operations and system state variables by computational rules and symbols, establish symbolic reasoning of mathematical formulas via expression trees, and employ a Monte Carlo tree search (MCTS) agent to explore optimal expression trees based on measurement data. The MCTS agent obtains an optimistic selection policy through the traversal of expression trees, featuring the one that maps to the arithmetic expression of underlying physics. Salient features of the proposed framework include search flexibility and enforcement of parsimony for discovered equations. The efficacy and superiority of the PSL machine are demonstrated by numerical examples, compared with state-of-the-art baselines.

Artificial Intelligence is now recognized as a general-purpose technology with ample impact on human life. In this work, we aim to understand the evolution of AI and Machine learning over the years by analyzing researchers' impact, influence, and leadership over the last decades. This work also intends to shed new light on the history and evolution of AI by exploring the dynamics involved in the field's evolution through the lenses of the papers published on AI conferences since the first International Joint Conference on Artificial Intelligence (IJCAI) in 1969. AI development and evolution have led to increasing research output, reflected in the number of articles published over the last sixty years. We construct comprehensive citation-collaboration and paper-author datasets and compute corresponding centrality measures to carry out our analyses. These analyses allow a better understanding of how AI has reached its current state of affairs in research. Throughout the process, we correlate these datasets with the work of the ACM Turing Award winners and the so-called two AI winters the field has gone through. We also look at self-citation trends and new authors' behaviors. Finally, we present a novel way to infer the country of affiliation of a paper from its organization. Therefore, this work provides a deep analysis of Artificial Intelligence history from information gathered and analyzed from large technical venues datasets and suggests novel insights that can contribute to understanding and measuring AI's evolution.

This work discusses tensor network embeddings, which are random matrices ($S$) with tensor network structure. These embeddings have been used to perform dimensionality reduction of tensor network structured inputs $x$ and accelerate applications such as tensor decomposition and kernel regression. Existing works have designed embeddings for inputs $x$ with specific structures, such that the computational cost for calculating $Sx$ is efficient. We provide a systematic way to design tensor network embeddings consisting of Gaussian random tensors, such that for inputs with more general tensor network structures, both the sketch size (row size of $S$) and the sketching computational cost are low. We analyze general tensor network embeddings that can be reduced to a sequence of sketching matrices. We provide a sufficient condition to quantify the accuracy of such embeddings and derive sketching asymptotic cost lower bounds using embeddings that satisfy this condition and have a sketch size lower than any input dimension. We then provide an algorithm to efficiently sketch input data using such embeddings. The sketch size of the embedding used in the algorithm has a linear dependence on the number of sketching dimensions of the input. Assuming tensor contractions are performed with classical dense matrix multiplication algorithms, this algorithm achieves asymptotic cost within a factor of $O(\sqrt{m})$ of our cost lower bound, where $m$ is the sketch size. Further, when each tensor in the input has a dimension that needs to be sketched, this algorithm yields the optimal sketching asymptotic cost. We apply our sketching analysis to inexact tensor decomposition optimization algorithms. We provide a sketching algorithm for CP decomposition that is asymptotically faster than existing work in multiple regimes, and show optimality of an existing algorithm for tensor train rounding.

A common problem affecting neural network (NN) approximations of model predictive control (MPC) policies is the lack of analytical tools to assess the stability of the closed-loop system under the action of the NN-based controller. We present a general procedure to quantify the performance of such a controller, or to design minimum complexity NNs with rectified linear units (ReLUs) that preserve the desirable properties of a given MPC scheme. By quantifying the approximation error between NN-based and MPC-based state-to-input mappings, we first establish suitable conditions involving two key quantities, the worst-case error and the Lipschitz constant, guaranteeing the stability of the closed-loop system. We then develop an offline, mixed-integer optimization-based method to compute those quantities exactly. Together these techniques provide conditions sufficient to certify the stability and performance of a ReLU-based approximation of an MPC control law.

Predictive distributions quantify uncertainties ignored by point estimates. This paper introduces \textit{The Neural Testbed}: an open-source benchmark for controlled and principled evaluation of agents that generate such predictions. Crucially, the testbed assesses agents not only on the quality of their marginal predictions per input, but also on their joint predictions across many inputs. We evaluate a range of agents using a simple neural network data generating process. Our results indicate that some popular Bayesian deep learning agents do not fare well with joint predictions, even when they can produce accurate marginal predictions. We also show that the quality of joint predictions drives performance in downstream decision tasks. We find these results are robust across choice a wide range of generative models, and highlight the practical importance of joint predictions to the community.

Recent breakthroughs in high-resolution imaging of biomolecules in solution with cryo-electron microscopy (cryo-EM) have unlocked new doors for the reconstruction of molecular volumes, thereby promising further advances in biology, chemistry, and pharmacological research. Recent next-generation volume reconstruction algorithms that combine generative modeling with end-to-end unsupervised deep learning techniques have shown promising preliminary results, but still face considerable technical and theoretical hurdles when applied to experimental cryo-EM images. In light of the proliferation of such methods, we propose here a critical review of recent advances in the field of deep generative modeling for cryo-EM volume reconstruction. The present review aims to (i) unify and compare these new methods using a consistent statistical framework, (ii) present them using a terminology familiar to machine learning researchers and computational biologists with no specific background in cryo-EM, and (iii) provide the necessary perspective on current advances to highlight their relative strengths and weaknesses, along with outstanding bottlenecks and avenues for improvements in the field. This review might also raise the interest of computer vision practitioners, as it highlights significant limits of deep generative models in low signal-to-noise regimes -- therefore emphasizing a need for new theoretical and methodological developments.

Due to the drastic gap in complexity between sequential and batch statistical learning, recent work has studied a smoothed sequential learning setting, where Nature is constrained to select contexts with density bounded by 1/{\sigma} with respect to a known measure {\mu}. Unfortunately, for some function classes, there is an exponential gap between the statistically optimal regret and that which can be achieved efficiently. In this paper, we give a computationally efficient algorithm that is the first to enjoy the statistically optimal log(T/{\sigma}) regret for realizable K-wise linear classification. We extend our results to settings where the true classifier is linear in an over-parameterized polynomial featurization of the contexts, as well as to a realizable piecewise-regression setting assuming access to an appropriate ERM oracle. Somewhat surprisingly, standard disagreement-based analyses are insufficient to achieve regret logarithmic in 1/{\sigma}. Instead, we develop a novel characterization of the geometry of the disagreement region induced by generalized linear classifiers. Along the way, we develop numerous technical tools of independent interest, including a general anti-concentration bound for the determinant of certain matrix averages.

Learned representations are a central component in modern ML systems, serving a multitude of downstream tasks. When training such representations, it is often the case that computational and statistical constraints for each downstream task are unknown. In this context rigid, fixed capacity representations can be either over or under-accommodating to the task at hand. This leads us to ask: can we design a flexible representation that can adapt to multiple downstream tasks with varying computational resources? Our main contribution is Matryoshka Representation Learning (MRL) which encodes information at different granularities and allows a single embedding to adapt to the computational constraints of downstream tasks. MRL minimally modifies existing representation learning pipelines and imposes no additional cost during inference and deployment. MRL learns coarse-to-fine representations that are at least as accurate and rich as independently trained low-dimensional representations. The flexibility within the learned Matryoshka Representations offer: (a) up to 14x smaller embedding size for ImageNet-1K classification at the same level of accuracy; (b) up to 14x real-world speed-ups for large-scale retrieval on ImageNet-1K and 4K; and (c) up to 2% accuracy improvements for long-tail few-shot classification, all while being as robust as the original representations. Finally, we show that MRL extends seamlessly to web-scale datasets (ImageNet, JFT) across various modalities -- vision (ViT, ResNet), vision + language (ALIGN) and language (BERT). MRL code and pretrained models are open-sourced at https://github.com/RAIVNLab/MRL.

Designing robust loss functions is popular in learning with noisy labels while existing designs did not explicitly consider the overfitting property of deep neural networks (DNNs). As a result, applying these losses may still suffer from overfitting/memorizing noisy labels as training proceeds. In this paper, we first theoretically analyze the memorization effect and show that a lower-capacity model may perform better on noisy datasets. However, it is non-trivial to design a neural network with the best capacity given an arbitrary task. To circumvent this dilemma, instead of changing the model architecture, we decouple DNNs into an encoder followed by a linear classifier and propose to restrict the function space of a DNN by a representation regularizer. Particularly, we require the distance between two self-supervised features to be positively related to the distance between the corresponding two supervised model outputs. Our proposed framework is easily extendable and can incorporate many other robust loss functions to further improve performance. Extensive experiments and theoretical analyses support our claims. Code is available at github.com/UCSC-REAL/SelfSup_NoisyLabel.

Safety is the major consideration in controlling complex dynamical systems using reinforcement learning (RL), where the safety certificate can provide provable safety guarantee. A valid safety certificate is an energy function indicating that safe states are with low energy, and there exists a corresponding safe control policy that allows the energy function to always dissipate. The safety certificate and the safe control policy are closely related to each other and both challenging to synthesize. Therefore, existing learning-based studies treat either of them as prior knowledge to learn the other, which limits their applicability with general unknown dynamics. This paper proposes a novel approach that simultaneously synthesizes the energy-function-based safety certificate and learns the safe control policy with CRL. We do not rely on prior knowledge about either an available model-based controller or a perfect safety certificate. In particular, we formulate a loss function to optimize the safety certificate parameters by minimizing the occurrence of energy increases. By adding this optimization procedure as an outer loop to the Lagrangian-based constrained reinforcement learning (CRL), we jointly update the policy and safety certificate parameters and prove that they will converge to their respective local optima, the optimal safe policy and a valid safety certificate. We evaluate our algorithms on multiple safety-critical benchmark environments. The results show that the proposed algorithm learns provably safe policies with no constraint violation. The validity or feasibility of synthesized safety certificate is also verified numerically.

This paper is concerned with the complex task of identifying the type and cause of the events that are captured by distribution-level phasor measurement units (D-PMUs) in order to enhance situational awareness in power distribution systems. Our goal is to address two fundamental challenges in this field: a) scarcity in measurement locations due to the high cost of purchasing, installing, and streaming data from D-PMUs; b) limited prior knowledge about the event signatures due to the fact that the events are diverse, infrequent, and inherently unscheduled. To tackle these challenges, we propose an unsupervised graph-representation learning method, called GraphPMU, to significantly improve the performance in event clustering under locationally-scarce data availability by proposing the following two new directions: 1) using the topological information about the relative location of the few available phasor measurement units on the graph of the power distribution network; 2) utilizing not only the commonly used fundamental phasor measurements, bus also the less explored harmonic phasor measurements in the process of analyzing the signatures of various events. Through a detailed analysis of several case studies, we show that GraphPMU can highly outperform the prevalent methods in the literature.

We initiate the study of dynamic regret minimization for goal-oriented reinforcement learning modeled by a non-stationary stochastic shortest path problem with changing cost and transition functions. We start by establishing a lower bound $\Omega((B_{\star} SAT_{\star}(\Delta_c + B_{\star}^2\Delta_P))^{1/3}K^{2/3})$, where $B_{\star}$ is the maximum expected cost of the optimal policy of any episode starting from any state, $T_{\star}$ is the maximum hitting time of the optimal policy of any episode starting from the initial state, $SA$ is the number of state-action pairs, $\Delta_c$ and $\Delta_P$ are the amount of changes of the cost and transition functions respectively, and $K$ is the number of episodes. The different roles of $\Delta_c$ and $\Delta_P$ in this lower bound inspire us to design algorithms that estimate costs and transitions separately. Specifically, assuming the knowledge of $\Delta_c$ and $\Delta_P$, we develop a simple but sub-optimal algorithm and another more involved minimax optimal algorithm (up to logarithmic terms). These algorithms combine the ideas of finite-horizon approximation [Chen et al., 2022a], special Bernstein-style bonuses of the MVP algorithm [Zhang et al., 2020], adaptive confidence widening [Wei and Luo, 2021], as well as some new techniques such as properly penalizing long-horizon policies. Finally, when $\Delta_c$ and $\Delta_P$ are unknown, we develop a variant of the MASTER algorithm [Wei and Luo, 2021] and integrate the aforementioned ideas into it to achieve $\widetilde{O}(\min\{B_{\star} S\sqrt{ALK}, (B_{\star}^2S^2AT_{\star}(\Delta_c+B_{\star}\Delta_P))^{1/3}K^{2/3}\})$ regret, where $L$ is the unknown number of changes of the environment.

Paraphrase generation is a difficult problem. This is not only because of the limitations in text generation capabilities but also due that to the lack of a proper definition of what qualifies as a paraphrase and corresponding metrics to measure how good it is. Metrics for evaluation of paraphrasing quality is an on going research problem. Most of the existing metrics in use having been borrowed from other tasks do not capture the complete essence of a good paraphrase, and often fail at borderline-cases. In this work, we propose a novel metric $ROUGE_P$ to measure the quality of paraphrases along the dimensions of adequacy, novelty and fluency. We also provide empirical evidence to show that the current natural language generation metrics are insufficient to measure these desired properties of a good paraphrase. We look at paraphrase model fine-tuning and generation from the lens of metrics to gain a deeper understanding of what it takes to generate and evaluate a good paraphrase.

A dynamic treatment regimen (DTR) is a set of decision rules to personalize treatments for an individual using their medical history. The Q-learning based Q-shared algorithm has been used to develop DTRs that involve decision rules shared across multiple stages of intervention. We show that the existing Q-shared algorithm can suffer from non-convergence due to the use of linear models in the Q-learning setup, and identify the condition in which Q-shared fails. Leveraging properties from expansion-constrained ordinary least-squares, we give a penalized Q-shared algorithm that not only converges in settings that violate the condition, but can outperform the original Q-shared algorithm even when the condition is satisfied. We give evidence for the proposed method in a real-world application and several synthetic simulations.

Complex diseases are caused by a multitude of factors that may differ between patients even within the same diagnostic category. A few underlying root causes may nevertheless initiate the development of disease within each patient. We therefore focus on identifying patient-specific root causes of disease, which we equate to the sample-specific predictivity of the exogenous error terms in a structural equation model. We generalize from the linear setting to the heteroscedastic noise model where $Y = m(X) + \varepsilon\sigma(X)$ with non-linear functions $m(X)$ and $\sigma(X)$ representing the conditional mean and mean absolute deviation, respectively. This model preserves identifiability but introduces non-trivial challenges that require a customized algorithm called Generalized Root Causal Inference (GRCI) to extract the error terms correctly. GRCI recovers patient-specific root causes more accurately than existing alternatives.

The computation of Wasserstein gradient direction is essential for posterior sampling problems and scientific computing. The approximation of the Wasserstein gradient with finite samples requires solving a variational problem. We study the variational problem in the family of two-layer networks with squared-ReLU activations, towards which we derive a semi-definite programming (SDP) relaxation. This SDP can be viewed as an approximation of the Wasserstein gradient in a broader function family including two-layer networks. By solving the convex SDP, we obtain the optimal approximation of the Wasserstein gradient direction in this class of functions. Numerical experiments including PDE-constrained Bayesian inference and parameter estimation in COVID-19 modeling demonstrate the effectiveness of the proposed method.

The increasingly stringent regulations on privacy protection have sparked interest in federated learning. As a distributed machine learning framework, it bridges isolated data islands by training a global model over devices while keeping data localized. Specific to recommendation systems, many federated recommendation algorithms have been proposed to realize the privacy-preserving collaborative recommendation. However, several constraints remain largely unexplored. One big concern is how to ensure fairness between participants of federated learning, that is, to maintain the uniformity of recommendation performance across devices. On the other hand, due to data heterogeneity and limited networks, additional challenges occur in the convergence speed. To address these problems, in this paper, we first propose a personalized federated recommendation system training algorithm to improve the recommendation performance fairness. Then we adopt a clustering-based aggregation method to accelerate the training process. Combining the two components, we proposed Cali3F, a calibrated fast and fair federated recommendation framework. Cali3F not only addresses the convergence problem by a within-cluster parameter sharing approach but also significantly boosts fairness by calibrating local models with the global model. We demonstrate the performance of Cali3F across standard benchmark datasets and explore the efficacy in comparison to traditional aggregation approaches.

In multi-agent reinforcement learning, the use of a global objective is a powerful tool for incentivising cooperation. Unfortunately, it is not sample-efficient to train individual agents with a global reward, because it does not necessarily correlate with an agent's individual actions. This problem can be solved by factorising the global value function into local value functions. Early work in this domain performed factorisation by conditioning local value functions purely on local information. Recently, it has been shown that providing both local information and an encoding of the global state can promote cooperative behaviour. In this paper we propose QGNN, the first value factorisation method to use a graph neural network (GNN) based model. The multi-layer message passing architecture of QGNN provides more representational complexity than models in prior work, allowing it to produce a more effective factorisation. QGNN also introduces a permutation invariant mixer which is able to match the performance of other methods, even with significantly fewer parameters. We evaluate our method against several baselines, including QMIX-Att, GraphMIX, QMIX, VDN, and hybrid architectures. Our experiments include Starcraft, the standard benchmark for credit assignment; Estimate Game, a custom environment that explicitly models inter-agent dependencies; and Coalition Structure Generation, a foundational problem with real-world applications. The results show that QGNN outperforms state-of-the-art value factorisation baselines consistently.

Noise is one of the primary quality-of-life issues in urban environments. In addition to annoyance, noise negatively impacts public health and educational performance. While low-cost sensors can be deployed to monitor ambient noise levels at high temporal resolutions, the amount of data they produce and the complexity of these data pose significant analytical challenges. One way to address these challenges is through machine listening techniques, which are used to extract features in attempts to classify the source of noise and understand temporal patterns of a city's noise situation. However, the overwhelming number of noise sources in the urban environment and the scarcity of labeled data makes it nearly impossible to create classification models with large enough vocabularies that capture the true dynamism of urban soundscapes In this paper, we first identify a set of requirements in the yet unexplored domain of urban soundscape exploration. To satisfy the requirements and tackle the identified challenges, we propose Urban Rhapsody, a framework that combines state-of-the-art audio representation, machine learning, and visual analytics to allow users to interactively create classification models, understand noise patterns of a city, and quickly retrieve and label audio excerpts in order to create a large high-precision annotated database of urban sound recordings. We demonstrate the tool's utility through case studies performed by domain experts using data generated over the five-year deployment of a one-of-a-kind sensor network in New York City.

In many scenarios, 1) data streams are generated in real time; 2) labeled data are expensive and only limited labels are available in the beginning; 3) real-world data is not always i.i.d. and data drift over time gradually; 4) the storage of historical streams is limited and model updating can only be achieved based on a very short lookback window. This learning setting limits the applicability and availability of many Machine Learning (ML) algorithms. We generalize the learning task under such setting as a semi-supervised drifted stream learning with short lookback problem (SDSL). SDSL imposes two under-addressed challenges on existing methods in semi-supervised learning, continuous learning, and domain adaptation: 1) robust pseudo-labeling under gradual shifts and 2) anti-forgetting adaptation with short lookback. To tackle these challenges, we propose a principled and generic generation-replay framework to solve SDSL. The framework is able to accomplish: 1) robust pseudo-labeling in the generation step; 2) anti-forgetting adaption in the replay step. To achieve robust pseudo-labeling, we develop a novel pseudo-label classification model to leverage supervised knowledge of previously labeled data, unsupervised knowledge of new data, and, structure knowledge of invariant label semantics. To achieve adaptive anti-forgetting model replay, we propose to view the anti-forgetting adaptation task as a flat region search problem. We propose a novel minimax game-based replay objective function to solve the flat region search problem and develop an effective optimization solver. Finally, we present extensive experiments to demonstrate our framework can effectively address the task of anti-forgetting learning in drifted streams with short lookback.

Recommender Systems (RS) pervade many aspects of our everyday digital life. Proposed to work at scale, state-of-the-art RS allow the modeling of thousands of interactions and facilitate highly individualized recommendations. Conceptually, many RS can be viewed as instances of statistical regression models that incorporate complex feature effects and potentially non-Gaussian outcomes. Such structured regression models, including time-aware varying coefficients models, are, however, limited in their applicability to categorical effects and inclusion of a large number of interactions. Here, we propose Factorized Structured Regression (FaStR) for scalable varying coefficient models. FaStR overcomes limitations of general regression models for large-scale data by combining structured additive regression and factorization approaches in a neural network-based model implementation. This fusion provides a scalable framework for the estimation of statistical models in previously infeasible data settings. Empirical results confirm that the estimation of varying coefficients of our approach is on par with state-of-the-art regression techniques, while scaling notably better and also being competitive with other time-aware RS in terms of prediction performance. We illustrate FaStR's performance and interpretability on a large-scale behavioral study with smartphone user data.

The vulnerability of deep neural networks to adversarial examples has drawn tremendous attention from the community. Three approaches, optimizing standard objective functions, exploiting attention maps, and smoothing decision surfaces, are commonly used to craft adversarial examples. By tightly integrating the three approaches, we propose a new and simple algorithm named Transferable Attack based on Integrated Gradients (TAIG) in this paper, which can find highly transferable adversarial examples for black-box attacks. Unlike previous methods using multiple computational terms or combining with other methods, TAIG integrates the three approaches into one single term. Two versions of TAIG that compute their integrated gradients on a straight-line path and a random piecewise linear path are studied. Both versions offer strong transferability and can seamlessly work together with the previous methods. Experimental results demonstrate that TAIG outperforms the state-of-the-art methods. The code will available at https://github.com/yihuang2016/TAIG

Generalization to out of distribution tasks in reinforcement learning is a challenging problem. One successful approach improves generalization by conditioning policies on task or environment descriptions that provide information about the current transition or reward functions. Previously, these descriptions were often expressed as generated or crowd sourced text. In this work, we begin to tackle the problem of extracting useful information from natural language found in the wild (e.g. internet forums, documentation, and wikis). These natural, pre-existing sources are especially challenging, noisy, and large and present novel challenges compared to previous approaches. We propose to address these challenges by training reinforcement learning agents to learn to query these sources as a human would, and we experiment with how and when an agent should query. To address the \textit{how}, we demonstrate that pretrained QA models perform well at executing zero-shot queries in our target domain. Using information retrieved by a QA model, we train an agent to learn \textit{when} it should execute queries. We show that our method correctly learns to execute queries to maximize reward in a reinforcement learning setting.

Deep learning has become a one-size-fits-all solution for technical and business domains thanks to its flexibility and adaptability. It is implemented using opaque models, which unfortunately undermines the outcome trustworthiness. In order to have a better understanding of the behavior of a system, particularly one driven by time series, a look inside a deep learning model so-called posthoc eXplainable Artificial Intelligence (XAI) approaches, is important. There are two major types of XAI for time series data, namely model-agnostic and model-specific. Model-specific approach is considered in this work. While other approaches employ either Class Activation Mapping (CAM) or Attention Mechanism, we merge the two strategies into a single system, simply called the Temporally Weighted Spatiotemporal Explainable Neural Network for Multivariate Time Series (TSEM). TSEM combines the capabilities of RNN and CNN models in such a way that RNN hidden units are employed as attention weights for the CNN feature maps temporal axis. The result shows that TSEM outperforms XCM. It is similar to STAM in terms of accuracy, while also satisfying a number of interpretability criteria, including causality, fidelity, and spatiotemporality.

Many projects (both practical and academic) have designed algorithms to match users to content they will enjoy under the assumption that user's preferences and opinions do not change with the content they see. Evidence suggests that individuals' preferences are directly shaped by what content they see -- radicalization, rabbit holes, polarization, and boredom are all example phenomena of preferences affected by content. Polarization in particular can occur even in ecosystems with "mass media," where no personalization takes place, as recently explored in a natural model of preference dynamics by~\citet{hkazla2019geometric} and~\citet{gaitonde2021polarization}. If all users' preferences are drawn towards content they already like, or are repelled from content they already dislike, uniform consumption of media leads to a population of heterogeneous preferences converging towards only two poles. In this work, we explore whether some phenomenon akin to polarization occurs when users receive \emph{personalized} content recommendations. We use a similar model of preference dynamics, where an individual's preferences move towards content the consume and enjoy, and away from content they consume and dislike. We show that standard user reward maximization is an almost trivial goal in such an environment (a large class of simple algorithms will achieve only constant regret). A more interesting objective, then, is to understand under what conditions a recommendation algorithm can ensure stationarity of user's preferences. We show how to design a content recommendations which can achieve approximate stationarity, under mild conditions on the set of available content, when a user's preferences are known, and how one can learn enough about a user's preferences to implement such a strategy even when user preferences are initially unknown.

Stochastic gradient descent (SGD) and its variants are commonly considered as the de-facto methods to train deep neural networks (DNNs). While recent improvements to SGD mainly focus on the descent algorithm itself, few works pay attention to utilizing the historical solutions -- as an iterative method, SGD has actually gone through substantial explorations before its final convergence. Recently, an interesting attempt is stochastic weight averaging (SWA), which significantly improves the generalization by simply averaging the solutions at the tail stage of training. In this paper, we propose to optimize the averaging coefficients, leading to our Trainable Weight Averaging (TWA), essentially a novel training method in a reduced subspace spanned by historical solutions. TWA is quite efficient and has good generalization capability as the degree of freedom for training is small. It largely reduces the estimation error from SWA, making it not only further improve the SWA solutions but also take full advantage of the solutions generated in the head of training where SWA fails. In the extensive numerical experiments, (i) TWA achieves consistent improvements over SWA with less sensitivity to learning rate; (ii) applying TWA in the head stage of training largely speeds up the convergence, resulting in over 40% time saving on CIFAR and 30% on ImageNet with improved generalization compared with regular training. The code is released at https://github.com/nblt/TWA.

On-Shelf Availability (OSA) of products in retail stores is a critical business criterion in the fast moving consumer goods and retails sector. When a product is out-of-stock (OOS) and a customer cannot find it on its designed shelf, this causes a negative impact on the customer's behaviors and future demands. Several methods are being adopted by retailers today to detect empty shelves and ensure high OSA of products; however, such methods are generally ineffective and infeasible since they are either manual, expensive or less accurate. Recently machine learning based solutions have been proposed, but they suffer from high computation cost and low accuracy problem due to lack of large annotated datasets of on-shelf products. Here, we present an elegant approach for designing an end-to-end machine learning (ML) pipeline for real-time empty shelf detection. Considering the strong dependency between the quality of ML models and the quality of data, we focus on the importance of proper data collection, cleaning and correct data annotation before delving into modeling. Since an empty-shelf detection solution should be computationally-efficient for real-time predictions, we explore different run-time optimizations to improve the model performance. Our dataset contains 1000 images, collected and annotated by following well-defined guidelines. Our low-latency model achieves a mean average F1-score of 68.5%, and can process up to 67 images/s on Intel Xeon Gold and up to 860 images/s on an A100 GPU. Our annotated dataset is publicly available along with our optimized models.

Detecting fraudulent transactions is an essential component to control risk in e-commerce marketplaces. Apart from rule-based and machine learning filters that are already deployed in production, we want to enable efficient real-time inference with graph neural networks (GNNs), which is useful to catch multihop risk propagation in a transaction graph. However, two challenges arise in the implementation of GNNs in production. First, future information in a dynamic graph should not be considered in message passing to predict the past. Second, the latency of graph query and GNN model inference is usually up to hundreds of milliseconds, which is costly for some critical online services. To tackle these challenges, we propose a Batch and Real-time Inception GrapH Topology (BRIGHT) framework to conduct an end-to-end GNN learning that allows efficient online real-time inference. BRIGHT framework consists of a graph transformation module (Two-Stage Directed Graph) and a corresponding GNN architecture (Lambda Neural Network). The Two-Stage Directed Graph guarantees that the information passed through neighbors is only from the historical payment transactions. It consists of two subgraphs representing historical relationships and real-time links, respectively. The Lambda Neural Network decouples inference into two stages: batch inference of entity embeddings and real-time inference of transaction prediction. Our experiments show that BRIGHT outperforms the baseline models by >2\% in average w.r.t.~precision. Furthermore, BRIGHT is computationally efficient for real-time fraud detection. Regarding end-to-end performance (including neighbor query and inference), BRIGHT can reduce the P99 latency by >75\%. For the inference stage, our speedup is on average 7.8$\times$ compared to the traditional GNN.

Most evolutionary-oriented deep generative models do not explicitly consider the underlying evolutionary dynamics of biological sequences as it is performed within the Bayesian phylogenetic inference framework. In this study, we propose a method for a deep variational Bayesian generative model that jointly approximates the true posterior of local biological evolutionary parameters and generates sequence alignments. Moreover, it is instantiated and tuned for continuous-time Markov chain substitution models such as JC69 and GTR. We train the model via a low-variance variational objective function and a gradient ascent algorithm. Here, we show the consistency and effectiveness of the method on synthetic sequence alignments simulated with several evolutionary scenarios and on a real virus sequence alignment.

We present an efficient approach for Masked Image Modeling (MIM) with hierarchical Vision Transformers (ViTs), e.g., Swin Transformer, allowing the hierarchical ViTs to discard masked patches and operate only on the visible ones. Our approach consists of two key components. First, for the window attention, we design a Group Window Attention scheme following the Divide-and-Conquer strategy. To mitigate the quadratic complexity of the self-attention w.r.t. the number of patches, group attention encourages a uniform partition that visible patches within each local window of arbitrary size can be grouped with equal size, where masked self-attention is then performed within each group. Second, we further improve the grouping strategy via the Dynamic Programming algorithm to minimize the overall computation cost of the attention on the grouped patches. As a result, MIM now can work on hierarchical ViTs in a green and efficient way. For example, we can train the hierarchical ViTs about 2.7$\times$ faster and reduce the GPU memory usage by 70%, while still enjoying competitive performance on ImageNet classification and the superiority on downstream COCO object detection benchmarks. Code and pre-trained models have been made publicly available at https://github.com/LayneH/GreenMIM.

Modern pre-trained transformers have rapidly advanced the state-of-the-art in machine learning, but have also grown in parameters and computational complexity, making them increasingly difficult to deploy in resource-constrained environments. Binarization of the weights and activations of the network can significantly alleviate these issues, however is technically challenging from an optimization perspective. In this work, we identify a series of improvements which enables binary transformers at a much higher accuracy than what was possible previously. These include a two-set binarization scheme, a novel elastic binary activation function with learned parameters, and a method to quantize a network to its limit by successively distilling higher precision models into lower precision students. These approaches allow for the first time, fully binarized transformer models that are at a practical level of accuracy, approaching a full-precision BERT baseline on the GLUE language understanding benchmark within as little as 5.9%.

Developments in IoT applications are playing an important role in our day-to-day life, starting from business predictions to self driving cars. One of the area, most influenced by the field of AI and IoT is retail analytics. In Retail Analytics, Conversion Rates - a metric which is most often used by retail stores to measure how many people have visited the store and how many purchases has happened. This retail conversion rate assess the marketing operations, increasing stock, store outlet and running promotions ..etc. Our project intends to build a cost-effective people counting system with AI at Edge, where it calculates Conversion rates using total number of people counted by the system and number of transactions for the day, which helps in providing analytical insights for retail store optimization with a very minimum hardware requirements.

While a broad range of techniques have been proposed to tackle distribution shift, the simple baseline of training on an $\textit{undersampled}$ dataset often achieves close to state-of-the-art-accuracy across several popular benchmarks. This is rather surprising, since undersampling algorithms discard excess majority group data. To understand this phenomenon, we ask if learning is fundamentally constrained by a lack of minority group samples. We prove that this is indeed the case in the setting of nonparametric binary classification. Our results show that in the worst case, an algorithm cannot outperform undersampling unless there is a high degree of overlap between the train and test distributions (which is unlikely to be the case in real-world datasets), or if the algorithm leverages additional structure about the distribution shift. In particular, in the case of label shift we show that there is always an undersampling algorithm that is minimax optimal. While in the case of group-covariate shift we show that there is an undersampling algorithm that is minimax optimal when the overlap between the group distributions is small. We also perform an experimental case study on a label shift dataset and find that in line with our theory the test accuracy of robust neural network classifiers is constrained by the number of minority samples.

Subgraph representation learning based on Graph Neural Network (GNN) has broad applications in chemistry and biology, such as molecule property prediction and gene collaborative function prediction. On the other hand, graph augmentation techniques have shown promising results in improving graph-based and node-based classification tasks but are rarely explored in the GNN-based subgraph representation learning literature. In this work, we developed a novel multiview augmentation mechanism to improve subgraph representation learning and thus the accuracy of downstream prediction tasks. The augmentation technique creates multiple variants of subgraphs and embeds these variants into the original graph to achieve both high training efficiency, scalability, and improved accuracy. Experiments on several real-world subgraph benchmarks demonstrate the superiority of our proposed multi-view augmentation techniques.

Plug-and-Play Priors (PnP) and Regularization by Denoising (RED) are widely-used frameworks for solving imaging inverse problems by computing fixed-points of operators combining physical measurement models and learned image priors. While traditional PnP/RED formulations have focused on priors specified using image denoisers, there is a growing interest in learning PnP/RED priors that are end-to-end optimal. The recent Deep Equilibrium Models (DEQ) framework has enabled memory-efficient end-to-end learning of PnP/RED priors by implicitly differentiating through the fixed-point equations without storing intermediate activation values. However, the dependence of the computational/memory complexity of the measurement models in PnP/RED on the total number of measurements leaves DEQ impractical for many imaging applications. We propose ODER as a new strategy for improving the efficiency of DEQ through stochastic approximations of the measurement models. We theoretically analyze ODER giving insights into its convergence and ability to approximate the traditional DEQ approach. Our numerical results suggest the potential improvements in training/testing complexity due to ODER on three distinct imaging applications.

Federated learning (FL) enables collaborative model training without centralizing data. However, the traditional FL framework is cloud-based and suffers from high communication latency. On the other hand, the edge-based FL framework that relies on an edge server co-located with access point for model aggregation has low communication latency but suffers from degraded model accuracy due to the limited coverage of edge server. In light of high-accuracy but high-latency cloud-based FL and low-latency but low-accuracy edge-based FL, this paper proposes a new FL framework based on cooperative mobile edge networking called cooperative federated edge learning (CFEL) to enable both high-accuracy and low-latency distributed intelligence at mobile edge networks. Considering the unique two-tier network architecture of CFEL, a novel federated optimization method dubbed cooperative edge-based federated averaging (CE-FedAvg) is further developed, wherein each edge server both coordinates collaborative model training among the devices within its own coverage and cooperates with other edge servers to learn a shared global model through decentralized consensus. Experimental results based on benchmark datasets show that CFEL can largely speed up the convergence speed and reduce the training time to achieve a target model accuracy compared with prior FL frameworks.

Finding different solutions to the same problem is a key aspect of intelligence associated with creativity and adaptation to novel situations. In reinforcement learning, a set of diverse policies can be useful for exploration, transfer, hierarchy, and robustness. We propose DOMiNO, a method for Diversity Optimization Maintaining Near Optimality. We formalize the problem as a Constrained Markov Decision Process where the objective is to find diverse policies, measured by the distance between the state occupancies of the policies in the set, while remaining near-optimal with respect to the extrinsic reward. We demonstrate that the method can discover diverse and meaningful behaviors in various domains, such as different locomotion patterns in the DeepMind Control Suite. We perform extensive analysis of our approach, compare it with other multi-objective baselines, demonstrate that we can control both the quality and the diversity of the set via interpretable hyperparameters, and show that the discovered set is robust to perturbations.

In the era of single-cell sequencing, there is a growing need to extract insights from data with clustering methods. Here, we introduce Forest Fire Clustering, an efficient and interpretable method for cell-type discovery from single-cell data. Forest Fire Clustering makes minimal prior assumptions and, different from current approaches, calculates a non-parametric posterior probability that each cell is assigned a cell-type label. These posterior distributions allow for the evaluation of a label confidence for each cell and enable the computation of "label entropies," highlighting transitions along developmental trajectories. Furthermore, we show that Forest Fire Clustering can make robust, inductive inferences in an online-learning context and can readily scale to millions of cells. Finally, we demonstrate that our method outperforms state-of-the-art clustering approaches on diverse benchmarks of simulated and experimental data. Overall, Forest Fire Clustering is a useful tool for rare cell type discovery in large-scale single-cell analysis.

Time series forecasting methods play critical role in estimating the spread of an epidemic. The coronavirus outbreak of December 2019 has already infected millions all over the world and continues to spread on. Just when the curve of the outbreak had started to flatten, many countries have again started to witness a rise in cases which is now being referred as the 2nd wave of the pandemic. A thorough analysis of time-series forecasting models is therefore required to equip state authorities and health officials with immediate strategies for future times. This aims of the study are three-fold: (a) To model the overall trend of the spread; (b) To generate a short-term forecast of 10 days in countries with the highest incidence of confirmed cases (USA, India and Brazil); (c) To quantitatively determine the algorithm that is best suited for precise modelling of the linear and non-linear features of the time series. The comparison of forecasting models for the total cumulative cases of each country is carried out by comparing the reported data and the predicted value, and then ranking the algorithms (Prophet, Holt-Winters, LSTM, ARIMA, and ARIMA-NARNN) based on their RMSE, MAE and MAPE values. The hybrid combination of ARIMA and NARNN (Nonlinear Auto-Regression Neural Network) gave the best result among the selected models with a reduced RMSE, which proved to be almost 35.3% better than one of the most prevalent method of time-series prediction (ARIMA). The results demonstrated the efficacy of the hybrid implementation of the ARIMA-NARNN model over other forecasting methods such as Prophet, Holt Winters, LSTM, and the ARIMA model in encapsulating the linear as well as non-linear patterns of the epidemical datasets.

We show that kernel interpolation for a large class of shift-invariant kernels is inconsistent in fixed dimension, even with bandwidth adaptive to the training set.

Introducing a time dependency on the data generating distribution has proven to be difficult for gradient-based training of neural networks, as the greedy updates result in catastrophic forgetting of previous timesteps. Continual learning aims to overcome the greedy optimization to enable continuous accumulation of knowledge over time. The data stream is typically divided into locally stationary distributions, called tasks, allowing task-based evaluation on held-out data from the training tasks. Contemporary evaluation protocols and metrics in continual learning are task-based and quantify the trade-off between stability and plasticity only at task transitions. However, our empirical evidence suggests that between task transitions significant, temporary forgetting can occur, remaining unidentified in task-based evaluation. Therefore, we propose a framework for continual evaluation that establishes per-iteration evaluation and define a new set of metrics that enables identifying the worst-case performance of the learner over its lifetime. Performing continual evaluation, we empirically identify that replay suffers from a stability gap: upon learning a new task, there is a substantial but transient decrease in performance on past tasks. Further conceptual and empirical analysis suggests not only replay-based, but also regularization-based continual learning methods are prone to the stability gap.

Recently, there has been a surge of Transformer-based solutions for the time series forecasting (TSF) task, especially for the challenging long-term TSF problem. Transformer architecture relies on self-attention mechanisms to effectively extract the semantic correlations between paired elements in a long sequence, which is permutation-invariant and anti-ordering to some extent. However, in time series modeling, we are to extract the temporal relations among an ordering set of continuous points. Consequently, whether Transformer-based techniques are the right solutions for long-term time series forecasting is an interesting problem to investigate, despite the performance improvements shown in these studies. In this work, we question the validity of Transformer-based TSF solutions. In their experiments, the compared (non-Transformer) baselines are mainly autoregressive forecasting solutions, which usually have a poor long-term prediction capability due to inevitable error accumulation effects. In contrast, we use an embarrassingly simple architecture named DLinear that conducts direct multi-step (DMS) forecasting for comparison. DLinear decomposes the time series into a trend and a remainder series and employs two one-layer linear networks to model these two series for the forecasting task. Surprisingly, it outperforms existing complex Transformer-based models in most cases by a large margin. Therefore, we conclude that the relatively higher long-term forecasting accuracy of Transformer-based TSF solutions shown in existing works has little to do with the temporal relation extraction capabilities of the Transformer architecture. Instead, it is mainly due to the non-autoregressive DMS forecasting strategy used in them. We hope this study also advocates revisiting the validity of Transformer-based solutions for other time series analysis tasks (e.g., anomaly detection) in the future.

Reinforcement learning in partially observed Markov decision processes (POMDPs) faces two challenges. (i) It often takes the full history to predict the future, which induces a sample complexity that scales exponentially with the horizon. (ii) The observation and state spaces are often continuous, which induces a sample complexity that scales exponentially with the extrinsic dimension. Addressing such challenges requires learning a minimal but sufficient representation of the observation and state histories by exploiting the structure of the POMDP. To this end, we propose a reinforcement learning algorithm named Embed to Control (ETC), which learns the representation at two levels while optimizing the policy.~(i) For each step, ETC learns to represent the state with a low-dimensional feature, which factorizes the transition kernel. (ii) Across multiple steps, ETC learns to represent the full history with a low-dimensional embedding, which assembles the per-step feature. We integrate (i) and (ii) in a unified framework that allows a variety of estimators (including maximum likelihood estimators and generative adversarial networks). For a class of POMDPs with a low-rank structure in the transition kernel, ETC attains an $O(1/\epsilon^2)$ sample complexity that scales polynomially with the horizon and the intrinsic dimension (that is, the rank). Here $\epsilon$ is the optimality gap. To our best knowledge, ETC is the first sample-efficient algorithm that bridges representation learning and policy optimization in POMDPs with infinite observation and state spaces.

Relative Positional Encoding (RPE), which encodes the relative distance between any pair of tokens, is one of the most successful modifications to the original Transformer. As far as we know, theoretical understanding of the RPE-based Transformers is largely unexplored. In this work, we mathematically analyze the power of RPE-based Transformers regarding whether the model is capable of approximating any continuous sequence-to-sequence functions. One may naturally assume the answer is in the affirmative -- RPE-based Transformers are universal function approximators. However, we present a negative result by showing there exist continuous sequence-to-sequence functions that RPE-based Transformers cannot approximate no matter how deep and wide the neural network is. One key reason lies in that most RPEs are placed in the softmax attention that always generates a right stochastic matrix. This restricts the network from capturing positional information in the RPEs and limits its capacity. To overcome the problem and make the model more powerful, we first present sufficient conditions for RPE-based Transformers to achieve universal function approximation. With the theoretical guidance, we develop a novel attention module, called Universal RPE-based (URPE) Attention, which satisfies the conditions. Therefore, the corresponding URPE-based Transformers become universal function approximators. Extensive experiments covering typical architectures and tasks demonstrate that our model is parameter-efficient and can achieve superior performance to strong baselines in a wide range of applications.

We consider regret minimization for Adversarial Markov Decision Processes (AMDPs), where the loss functions are changing over time and adversarially chosen, and the learner only observes the losses for the visited state-action pairs (i.e., bandit feedback). While there has been a surge of studies on this problem using Online-Mirror-Descent (OMD) methods, very little is known about the Follow-the-Perturbed-Leader (FTPL) methods, which are usually computationally more efficient and also easier to implement since it only requires solving an offline planning problem. Motivated by this, we take a closer look at FTPL for learning AMDPs, starting from the standard episodic finite-horizon setting. We find some unique and intriguing difficulties in the analysis and propose a workaround to eventually show that FTPL is also able to achieve near-optimal regret bounds in this case. More importantly, we then find two significant applications: First, the analysis of FTPL turns out to be readily generalizable to delayed bandit feedback with order-optimal regret, while OMD methods exhibit extra difficulties (Jin et al., 2022). Second, using FTPL, we also develop the first no-regret algorithm for learning communicating AMDPs in the infinite-horizon setting with bandit feedback and stochastic transitions. Our algorithm is efficient assuming access to an offline planning oracle, while even for the easier full-information setting, the only existing algorithm (Chandrasekaran and Tewari, 2021) is computationally inefficient.

Neural networks promote a distributed representation with no clear place for symbols. Despite this, we propose that symbols are manufactured simply by training a sparse random noise as a self-sustaining attractor in a feedback spiking neural network. This way, we can generate many of what we shall call prime attractors, and the networks that support them are like registers holding a symbolic value, and we call them registers. Like symbols, prime attractors are atomic and devoid of any internal structure. Moreover, the winner-take-all mechanism naturally implemented by spiking neurons enables registers to recover a prime attractor within a noisy signal. Using this faculty, when considering two connected registers, an input one and an output one, it is possible to bind in one shot using a Hebbian rule the attractor active on the output to the attractor active on the input. Thus, whenever an attractor is active on the input, it induces its bound attractor on the output; even though the signal gets blurrier with more bindings, the winner-take-all filtering faculty can recover the bound prime attractor. However, the capacity is still limited. It is also possible to unbind in one shot, restoring the capacity taken by that binding. This mechanism serves as a basis for working memory, turning prime attractors into variables. Also, we use a random second-order network to amalgamate the prime attractors held by two registers to bind the prime attractor held by a third register to them in one shot, de facto implementing a hash table. Furthermore, we introduce the register switch box composed of registers to move the content of one register to another. Then, we use spiking neurons to build a toy symbolic computer based on the above. The technics used suggest ways to design extrapolating, reusable, sample-efficient deep learning networks at the cost of structural priors.

Human can extrapolate well, generalize daily knowledge into unseen scenarios, raise and answer counterfactual questions. To imitate this ability via generative models, previous works have extensively studied explicitly encoding Structural Causal Models (SCMs) into architectures of generator networks. This methodology, however, limits the flexibility of the generator as they must be carefully crafted to follow the causal graph, and demands a ground truth SCM with strong ignorability assumption as prior, which is a nontrivial assumption in many real scenarios. Thus, many current causal GAN methods fail to generate high fidelity counterfactual results as they cannot easily leverage state-of-the-art generative models. In this paper, we propose to study counterfactual synthesis from a new perspective of knowledge extrapolation, where a given knowledge dimension of the data distribution is extrapolated, but the remaining knowledge is kept indistinguishable from the original distribution. We show that an adversarial game with a closed-form discriminator can be used to address the knowledge extrapolation problem, and a novel principal knowledge descent method can efficiently estimate the extrapolated distribution through the adversarial game. Our method enjoys both elegant theoretical guarantees and superior performance in many scenarios.

An explanation for the success of deep neural networks is a central question in theoretical machine learning. According to classical statistical learning, the overparameterized nature of such models should imply a failure to generalize. Many argue that good empirical performance is due to the implicit regularization of first order optimization methods. In particular, the Polyak-{\L}ojasiewicz condition leads to gradient descent finding a global optimum that is close to initialization. In this work, we propose a framework consisting of a prototype learning problem, which is general enough to cover many popular problems and even the cases of infinitely wide neural networks and infinite data. We then perform an analysis from the perspective of the Polyak-{\L}ojasiewicz condition. We obtain theoretical results of independent interest, concerning gradient descent on a composition $(f \circ F): G \to \mathbb{R}$ of functions $F: G \to H$ and $f: H \to \mathbb{R}$ with $G, H$ being Hilbert spaces. Building on these results, we determine the properties that have to be satisfied by the components of the prototype problem for gradient descent to find a global optimum that is close to initialization. We then demonstrate that supervised learning, variational autoencoders and training with gradient penalty can be translated to the prototype problem. Finally, we lay out a number of directions for future research.

We present a rotated hyperbolic wrapped normal distribution (RoWN), a simple yet effective alteration of a hyperbolic wrapped normal distribution (HWN). The HWN expands the domain of probabilistic modeling from Euclidean to hyperbolic space, where a tree can be embedded with arbitrary low distortion in theory. In this work, we analyze the geometric properties of the diagonal HWN, a standard choice of distribution in probabilistic modeling. The analysis shows that the distribution is inappropriate to represent the data points at the same hierarchy level through their angular distance with the same norm in the Poincar\'e disk model. We then empirically verify the presence of limitations of HWN, and show how RoWN, the newly proposed distribution, can alleviate the limitations on various hierarchical datasets, including noisy synthetic binary tree, WordNet, and Atari 2600 Breakout.

We propose a multi-fidelity neural network (MFNN) tailored for rapid high-dimensional grid power flow simulations and contingency analysis with scarce high-fidelity contingency data. The proposed model comprises two networks -- the first one trained on DC approximation as low-fidelity data and coupled to a high-fidelity neural net trained on both low- and high-fidelity power flow data. Each network features a latent module which parametrizes the model by a discrete grid topology vector for generalization (e.g., $n$ power lines with $k$ disconnections or contingencies, if any), and the targeted high-fidelity output is a weighted sum of linear and nonlinear functions. We tested the model on 14- and 118-bus test cases and evaluated its performance based on the $n-k$ power flow prediction accuracy with respect to imbalanced contingency data and high-to-low-fidelity sample ratio. The results presented herein demonstrate MFNN's potential and its limits with up to two orders of magnitude faster and more accurate power flow solutions than DC approximation.

The wide popularity of short videos on social media poses new opportunities and challenges to optimize recommender systems on the video-sharing platforms. Users provide complex and multi-faceted responses towards recommendations, including watch time and various types of interactions with videos. As a result, established recommendation algorithms that concern a single objective are not adequate to meet this new demand of optimizing comprehensive user experiences. In this paper, we formulate the problem of short video recommendation as a constrained Markov Decision Process (MDP), where platforms want to optimize the main goal of user watch time in long term, with the constraint of accommodating the auxiliary responses of user interactions such as sharing/downloading videos. To solve the constrained MDP, we propose a two-stage reinforcement learning approach based on actor-critic framework. At stage one, we learn individual policies to optimize each auxiliary response. At stage two, we learn a policy to (i) optimize the main response and (ii) stay close to policies learned at the first stage, which effectively guarantees the performance of this main policy on the auxiliaries. Through extensive simulations, we demonstrate effectiveness of our approach over alternatives in both optimizing the main goal as well as balancing the others. We further show the advantage of our approach in live experiments of short video recommendations, where it significantly outperforms other baselines in terms of watch time and interactions from video views. Our approach has been fully launched in the production system to optimize user experiences on the platform.

Gradient descent is slow to converge for ill-conditioned problems and non-convex problems. An important technique for acceleration is step-size adaptation. The first part of this paper contains a detailed review of step-size adaptation methods, including Polyak step-size, L4, LossGrad, Adam, IDBD, and Hypergradient descent, and the relation of step-size adaptation to meta-gradient methods. In the second part of this paper, we propose a new class of methods of accelerating gradient descent that have some distinctiveness from existing techniques. The new methods, which we call {\em step-size planning}, use the {\em update experience} to learn an improved way of updating the parameters. The methods organize the experience into $K$ steps away from each other to facilitate planning. From the past experience, our planning algorithm, Csawg, learns a step-size model which is a form of multi-step machine that predicts future updates. We extends Csawg to applying step-size planning multiple steps, which leads to further speedup. We discuss and highlight the projection power of the diagonal-matrix step-size for future large scale applications. We show for a convex problem, our methods can surpass the convergence rate of Nesterov's accelerated gradient, $1 - \sqrt{\mu/L}$, where $\mu, L$ are the strongly convex factor of the loss function $F$ and the Lipschitz constant of $F'$, which is the theoretical limit for the convergence rate of first-order methods. On the well-known non-convex Rosenbrock function, our planning methods achieve zero error below 500 gradient evaluations, while gradient descent takes about 10000 gradient evaluations to reach a $10^{-3}$ accuracy. We discuss the connection of step-size planing to planning in reinforcement learning, in particular, Dyna architectures. (This is a shorter abstract than in the paper because of length requirement)

We propose the fully explainable Decision Tree Graph Neural Network (DT+GNN) architecture. In contrast to existing black-box GNNs and post-hoc explanation methods, the reasoning of DT+GNN can be inspected at every step. To achieve this, we first construct a differentiable GNN layer, which uses a categorical state space for nodes and messages. This allows us to convert the trained MLPs in the GNN into decision trees. These trees are pruned using our newly proposed method to ensure they are small and easy to interpret. We can also use the decision trees to compute traditional explanations. We demonstrate on both real-world datasets and synthetic GNN explainability benchmarks that this architecture works as well as traditional GNNs. Furthermore, we leverage the explainability of DT+GNNs to find interesting insights into many of these datasets, with some surprising results. We also provide an interactive web tool to inspect DT+GNN's decision making.

Federated learning (FL) is an outstanding distributed machine learning framework due to its benefits on data privacy and communication efficiency. Since full client participation in many cases is infeasible due to constrained resources, partial participation FL algorithms have been investigated that proactively select/sample a subset of clients, aiming to achieve learning performance close to the full participation case. This paper studies a passive partial client participation scenario that is much less well understood, where partial participation is a result of external events, namely client dropout, rather than a decision of the FL algorithm. We cast FL with client dropout as a special case of a larger class of FL problems where clients can submit substitute (possibly inaccurate) local model updates. Based on our convergence analysis, we develop a new algorithm FL-FDMS that discovers friends of clients (i.e., clients whose data distributions are similar) on-the-fly and uses friends' local updates as substitutes for the dropout clients, thereby reducing the substitution error and improving the convergence performance. A complexity reduction mechanism is also incorporated into FL-FDMS, making it both theoretically sound and practically useful. Experiments on MNIST and CIFAR-10 confirmed the superior performance of FL-FDMS in handling client dropout in FL.

Deep reinforcement learning (DRL)-based combinatorial optimization (CO) methods (i.e., DRL-NCO) have shown significant merit over the conventional CO solvers as DRL-NCO is capable of learning CO solvers without supervised labels attained from the verified solver. This paper presents a novel training scheme, Sym-NCO, that achieves significant performance increments to existing DRL-NCO methods. Sym-NCO is a regularizer-based training scheme that leverages universal symmetricities in various CO problems and solutions. Imposing symmetricities such as rotational and reflectional invariance can greatly improve generalization capability of DRL-NCO as symmetricities are invariant features shared by certain CO tasks. Our experimental results verify that our Sym-NCO greatly improves the performance of DRL-NCO methods in four CO tasks, including traveling salesman problem (TSP), capacitated vehicle routing problem (CVRP), prize collecting TSP (PCTSP), and orienteering problem (OP), without employing problem-specific techniques. Remarkably, Sym-NCO outperformed not only the existing DRL-NCO methods but also a competitive conventional solver, the iterative local search (ILS), in PCTSP at 240 times faster speed.

Unraveling the general structure underlying the loss landscapes of deep neural networks (DNNs) is important for the theoretical study of deep learning. Inspired by the embedding principle of DNN loss landscape, we prove in this work an embedding principle in depth that loss landscape of an NN "contains" all critical points of the loss landscapes for shallower NNs. Specifically, we propose a critical lifting operator that any critical point of a shallower network can be lifted to a critical manifold of the target network while preserving the outputs. Through lifting, local minimum of an NN can become a strict saddle point of a deeper NN, which can be easily escaped by first-order methods. The embedding principle in depth reveals a large family of critical points in which layer linearization happens, i.e., computation of certain layers is effectively linear for the training inputs. We empirically demonstrate that, through suppressing layer linearization, batch normalization helps avoid the lifted critical manifolds, resulting in a faster decay of loss. We also demonstrate that increasing training data reduces the lifted critical manifold thus could accelerate the training. Overall, the embedding principle in depth well complements the embedding principle (in width), resulting in a complete characterization of the hierarchical structure of critical points/manifolds of a DNN loss landscape.

Malicious attackers and an honest-but-curious server can steal private client data from uploaded gradients in federated learning. Although current protection methods (e.g., additive homomorphic cryptosystem) can guarantee the security of the federated learning system, they bring additional computation and communication costs. To mitigate the cost, we propose the \texttt{FedAGE} framework, which enables the server to aggregate gradients in an encoded domain without accessing raw gradients of any single client. Thus, \texttt{FedAGE} can prevent the curious server from gradient stealing while maintaining the same prediction performance without additional communication costs. Furthermore, we theoretically prove that the proposed encoding-decoding framework is a Gaussian mechanism for differential privacy. Finally, we evaluate \texttt{FedAGE} under several federated settings, and the results have demonstrated the efficacy of the proposed framework.

Non-negative matrix factorization (NMF) based topic modeling is widely used in natural language processing (NLP) to uncover hidden topics of short text documents. Usually, training a high-quality topic model requires large amount of textual data. In many real-world scenarios, customer textual data should be private and sensitive, precluding uploading to data centers. This paper proposes a Federated NMF (FedNMF) framework, which allows multiple clients to collaboratively train a high-quality NMF based topic model with locally stored data. However, standard federated learning will significantly undermine the performance of topic models in downstream tasks (e.g., text classification) when the data distribution over clients is heterogeneous. To alleviate this issue, we further propose FedNMF+MI, which simultaneously maximizes the mutual information (MI) between the count features of local texts and their topic weight vectors to mitigate the performance degradation. Experimental results show that our FedNMF+MI methods outperform Federated Latent Dirichlet Allocation (FedLDA) and the FedNMF without MI methods for short texts by a significant margin on both coherence score and classification F1 score.

We study distributed contextual linear bandits with stochastic contexts, where $N$ agents act cooperatively to solve a linear bandit-optimization problem with $d$-dimensional features. For this problem, we propose a distributed batch elimination version of the LinUCB algorithm, DisBE-LUCB, where the agents share information among each other through a central server. We prove that over $T$ rounds ($NT$ actions in total) the communication cost of DisBE-LUCB is only $\tilde{\mathcal{O}}(dN)$ and its regret is at most $\tilde{\mathcal{O}}(\sqrt{dNT})$, which is of the same order as that incurred by an optimal single-agent algorithm for $NT$ rounds. Remarkably, we derive an information-theoretic lower bound on the communication cost of the distributed contextual linear bandit problem with stochastic contexts, and prove that our proposed algorithm is nearly minimax optimal in terms of \emph{both regret and communication cost}. Finally, we propose DecBE-LUCB, a fully decentralized version of DisBE-LUCB, which operates without a central server, where agents share information with their \emph{immediate neighbors} through a carefully designed consensus procedure.

To understand the essential role of depth in neural networks, we investigate a variational principle for depth: Does increasing depth perform an implicit optimization for the representations in neural networks? We prove that random neural networks equipped with batch normalization maximize the differential entropy of representations with depth up to constant factors, assuming that the representations are contractive. Thus, representations inherently obey the \textit{principle of maximum entropy} at initialization, in the absence of information about the learning task. Our variational formulation for neural representations characterizes the interplay between representation entropy and architectural components, including depth, width, and non-linear activations, thereby potentially inspiring the design of neural architectures.

Vision Transformers (ViTs) have triggered the most recent and significant breakthroughs in computer vision. Their efficient designs are mostly guided by the indirect metric of computational complexity, i.e., FLOPs, which however has a clear gap with the direct metric such as throughput. Thus, we propose to use the direct speed evaluation on the target platform as the design principle for efficient ViTs. Particularly, we introduce LITv2, a simple and effective ViT which performs favourably against the existing state-of-the-art methods across a spectrum of different model sizes with faster speed. At the core of LITv2 is a novel self-attention mechanism, which we dub HiLo. HiLo is inspired by the insight that high frequencies in an image capture local fine details and low frequencies focus on global structures, whereas a multi-head self-attention layer neglects the characteristic of different frequencies. Therefore, we propose to disentangle the high/low frequency patterns in an attention layer by separating the heads into two groups, where one group encodes high frequencies via self-attention within each local window, and another group performs the attention to model the global relationship between the average-pooled low-frequency keys from each window and each query position in the input feature map. Benefit from the efficient design for both groups, we show that HiLo is superior to the existing attention mechanisms by comprehensively benchmarking on FLOPs, speed and memory consumption on GPUs. Powered by HiLo, LITv2 serves as a strong backbone for mainstream vision tasks including image classification, dense detection and segmentation. Code is available at https://github.com/zip-group/LITv2.

In recent years, significant advances have been made in the design and evaluation of balanced (hyper)graph partitioning algorithms. We survey trends of the last decade in practical algorithms for balanced (hyper)graph partitioning together with future research directions. Our work serves as an update to a previous survey on the topic. In particular, the survey extends the previous survey by also covering hypergraph partitioning and streaming algorithms, and has an additional focus on parallel algorithms.

In many real-world inverse problems, only incomplete measurement data are available for training which can pose a problem for learning a reconstruction function. Indeed, unsupervised learning using a fixed incomplete measurement process is impossible in general, as there is no information in the nullspace of the measurement operator. This limitation can be overcome by using measurements from multiple operators. While this idea has been successfully applied in various applications, a precise characterization of the conditions for learning is still lacking. In this paper, we fill this gap by presenting necessary and sufficient conditions for learning the underlying signal model needed for reconstruction which indicate the interplay between the number of distinct measurement operators, the number of measurements per operator, the dimension of the model and the dimension of the signals. Furthermore, we propose a novel and conceptually simple unsupervised learning loss which only requires access to incomplete measurement data and achieves a performance on par with supervised learning when the sufficient condition is verified. We validate our theoretical bounds and demonstrate the advantages of the proposed unsupervised loss compared to previous methods via a series of experiments on various imaging inverse problems, such as accelerated magnetic resonance imaging, compressed sensing and image inpainting.

Urgent care clinics and emergency departments around the world periodically suffer from extended wait times beyond patient expectations due to inadequate staffing levels. These delays have been linked with adverse clinical outcomes. Previous research into forecasting demand this domain has mostly used a collection of statistical techniques, with machine learning approaches only now beginning to emerge in recent literature. The forecasting problem for this domain is difficult and has also been complicated by the COVID-19 pandemic which has introduced an additional complexity to this estimation due to typical demand patterns being disrupted. This study explores the ability of machine learning methods to generate accurate patient presentations at two large urgent care clinics located in Auckland, New Zealand. A number of machine learning algorithms were explored in order to determine the most effective technique for this problem domain, with the task of making forecasts of daily patient demand three months in advance. The study also performed an in-depth analysis into the model behaviour in respect to the exploration of which features are most effective at predicting demand and which features are capable of adaptation to the volatility caused by the COVID-19 pandemic lockdowns. The results showed that ensemble-based methods delivered the most accurate and consistent solutions on average, generating improvements in the range of 23%-27% over the existing in-house methods for estimating the daily demand.

We develop a rigorous mathematical analysis of zero-shot learning with attributes. In this setting, the goal is to label novel classes with no training data, only detectors for attributes and a description of how those attributes are correlated with the target classes, called the class-attribute matrix. We develop the first non-trivial lower bound on the worst-case error of the best map from attributes to classes for this setting, even with perfect attribute detectors. The lower bound characterizes the theoretical intrinsic difficulty of the zero-shot problem based on the available information -- the class-attribute matrix -- and the bound is practically computable from it. Our lower bound is tight, as we show that we can always find a randomized map from attributes to classes whose expected error is upper bounded by the value of the lower bound. We show that our analysis can be predictive of how standard zero-shot methods behave in practice, including which classes will likely be confused with others.

Grammar Detection, also referred to as Parts of Speech Tagging of raw text, is considered an underlying building block of the various Natural Language Processing pipelines like named entity recognition, question answering, and sentiment analysis. In short, forgiven a sentence, Parts of Speech tagging is the task of specifying and tagging each word of a sentence with nouns, verbs, adjectives, adverbs, and more. Sentiment Analysis may well be a procedure accustomed to determining if a given sentence's emotional tone is neutral, positive or negative. To assign polarity scores to the thesis or entities within phrase, in-text analysis and analytics, machine learning and natural language processing, approaches are incorporated. This Sentiment Analysis using POS tagger helps us urge a summary of the broader public over a specific topic. For this, we are using the Viterbi algorithm, Hidden Markov Model, Constraint based Viterbi algorithm for POS tagging. By comparing the accuracies, we select the foremost accurate result of the model for Sentiment Analysis for determining the character of the sentence.

Obtaining manual annotations for large datasets for supervised training of deep learning (DL) models is challenging. The availability of large unlabeled datasets compared to labeled ones motivate the use of self-supervised pretraining to initialize DL models for subsequent segmentation tasks. In this work, we consider two pre-training approaches for driving a DL model to learn different representations using: a) regression loss that exploits spatial dependencies within an image and b) contrastive loss that exploits semantic similarity between pairs of images. The effect of pretraining techniques is evaluated in two downstream segmentation applications using Magnetic Resonance (MR) images: a) liver segmentation in abdominal T2-weighted MR images and b) prostate segmentation in T2-weighted MR images of the prostate. We observed that DL models pretrained using self-supervision can be finetuned for comparable performance with fewer labeled datasets. Additionally, we also observed that initializing the DL model using contrastive loss based pretraining performed better than the regression loss.

The prediction for information diffusion on social networks has great practical significance in marketing and public opinion control. It aims to predict the individuals who will potentially repost the message on the social network. One type of method is based on demographics, complex networks and other prior knowledge to establish an interpretable model to simulate and predict the propagation process, while the other type of method is completely data-driven and maps the nodes to a latent space for propagation prediction. Existing latent space design and embedding methods lack consideration for the intervene among users. In this paper, we propose an independent asymmetric embedding method to embed each individual into one latent influence space and multiple latent susceptibility spaces. Based on the similarity between information diffusion and heat diffusion phenomenon, the heat diffusion kernel is exploited in our model and establishes the embedding rules. Furthermore, our method captures the co-occurrence regulation of user combinations in cascades to improve the calculating effectiveness. The results of extensive experiments conducted on real-world datasets verify both the predictive accuracy and cost-effectiveness of our approach.

The rapid development of X-ray micro-computed tomography (micro-CT) opens new opportunities for 3D analysis of particle and grain-size characterisation, determination of particle densities and shape factors, estimation of mineral associations and liberation and locking. Current practices in mineral liberation analysis are based on 2D representations leading to systematic errors in the extrapolation to volumetric properties. New quantitative methods based on tomographic data are therefore urgently required for characterisation of mineral deposits, mineral processing, characterisation of tailings, rock typing, stratigraphic refinement, reservoir characterisation for applications in the resource industry, environmental and material sciences. To date, no simple non-destructive method exists for 3D mineral liberation analysis. We present a new development based on combining micro-CT with micro-X-ray fluorescence (micro-XRF) using deep learning. We demonstrate successful semi-automated multi-modal analysis of a crystalline magmatic rock where the new technique overcomes the difficult task of differentiating feldspar from quartz in micro-CT data set. The approach is universal and can be extended to any multi-modal and multi-instrument analysis for further refinement. We conclude that the combination of micro-CT and micro-XRF already provides a new opportunity for robust 3D mineral liberation analysis in both field and laboratory applications.

Pandora's Box is a fundamental stochastic optimization problem, where the decision-maker must find a good alternative while minimizing the search cost of exploring the value of each alternative. In the original formulation, it is assumed that accurate priors are given for the values of all the alternatives, while recent work studies the online variant of Pandora's Box where priors are originally unknown. In this work, we extend Pandora's Box to the online setting, while incorporating context. At every round, we are presented with a number of alternatives each having a context, an exploration cost and an unknown value drawn from an unknown prior distribution that may change at every round. Our main result is a no-regret algorithm that performs comparably well to the optimal algorithm which knows all prior distributions exactly. Our algorithm works even in the bandit setting where the algorithm never learns the values of the alternatives that were not explored. The key technique that enables our result is novel a modification of the realizability condition in contextual bandits that connects a context to the reservation value of the corresponding distribution rather than its mean

Class imbalance naturally exists when train and test models in different domains. Unsupervised domain adaptation (UDA) augments model performance with only accessible annotations from the source domain and unlabeled data from the target domain. However, existing state-of-the-art UDA models learn domain-invariant representations and evaluate primarily on class-balanced data across domains. In this work, we propose an unsupervised domain adaptation approach via reinforcement learning that jointly leverages feature variants and imbalanced labels across domains. We experiment with the text classification task for its easily accessible datasets and compare the proposed method with five baselines. Experiments on three datasets prove that our proposed method can effectively learn robust domain-invariant representations and successfully adapt text classifiers on imbalanced classes over domains. The code is available at https://github.com/woqingdoua/ImbalanceClass.

The last few years have witnessed an exponential rise in the propagation of offensive text on social media. Identification of this text with high precision is crucial for the well-being of society. Most of the existing approaches tend to give high toxicity scores to innocuous statements (e.g., "I am a gay man"). These false positives result from over-generalization on the training data where specific terms in the statement may have been used in a pejorative sense (e.g., "gay"). Emphasis on such words alone can lead to discrimination against the classes these systems are designed to protect. In this paper, we address the problem of offensive language detection on Twitter, while also detecting the type and the target of the offence. We propose a novel approach called SyLSTM, which integrates syntactic features in the form of the dependency parse tree of a sentence and semantic features in the form of word embeddings into a deep learning architecture using a Graph Convolutional Network. Results show that the proposed approach significantly outperforms the state-of-the-art BERT model with orders of magnitude fewer number of parameters.

The current standard to compare the performance of AI algorithms is mainly based on one criterion: the model's accuracy. In this context, algorithms with a higher accuracy (or similar measures) are considered as better. To achieve new state-of-the-art results, algorithmic development is accompanied by an exponentially increasing amount of compute. While this has enabled AI research to achieve remarkable results, AI progress comes at a cost: it is unsustainable. In this paper, we present a promising tool for sustainable and thus Green AI: tensor networks (TNs). Being an established tool from multilinear algebra, TNs have the capability to improve efficiency without compromising accuracy. Since they can reduce compute significantly, we would like to highlight their potential for Green AI. We elaborate in both a kernel machine and deep learning setting how efficiency gains can be achieved with TNs. Furthermore, we argue that better algorithms should be evaluated in terms of both accuracy and efficiency. To that end, we discuss different efficiency criteria and analyze efficiency in an exemplifying experimental setting for kernel ridge regression. With this paper, we want to raise awareness about Green AI and showcase its positive impact on sustainability and AI research. Our key contribution is to demonstrate that TNs enable efficient algorithms and therefore contribute towards Green AI. In this sense, TNs pave the way for better algorithms in AI.

When trying to solve a computational problem we are often faced with a choice among algorithms that are all guaranteed to return the right answer but that differ in their runtime distributions (e.g., SAT solvers, sorting algorithms). This paper aims to lay theoretical foundations for such choices by formalizing preferences over runtime distributions. It might seem that we should simply prefer the algorithm that minimizes expected runtime. However, such preferences would be driven by exactly how slow our algorithm is on bad inputs, whereas in practice we are typically willing to cut off occasional, sufficiently long runs before they finish. We propose a principled alternative, taking a utility-theoretic approach to characterize the scoring functions that describe preferences over algorithms. These functions depend on the way our value for solving our problem decreases with time and on the distribution from which captimes are drawn. We describe examples of realistic utility functions and show how to leverage a maximum-entropy approach for modeling underspecified captime distributions. Finally, we show how to efficiently estimate an algorithm's expected utility from runtime samples.

In this paper, we propose a novel uniform generalization bound on the time and inverse temperature for stochastic gradient Langevin dynamics (SGLD) in a non-convex setting. While previous works derive their generalization bounds by uniform stability, we use Rademacher complexity to make our generalization bound independent of the time and inverse temperature. Using Rademacher complexity, we can reduce the problem to derive a generalization bound on the whole space to that on a bounded region and therefore can remove the effect of the time and inverse temperature from our generalization bound. As an application of our generalization bound, an evaluation on the effectiveness of the simulated annealing in a non-convex setting is also described. For the sample size $n$ and time $s$, we derive evaluations with orders $\sqrt{n^{-1} \log (n+1)}$ and $|(\log)^4(s)|^{-1}$, respectively. Here, $(\log)^4$ denotes the $4$ times composition of the logarithmic function.

Deep Neural Networks (DNN's) are a widely-used solution for a variety of machine learning problems. However, it is often necessary to invest a significant amount of a data scientist's time to pre-process input data, test different neural network architectures, and tune hyper-parameters for optimal performance. Automated machine learning (autoML) methods automatically search the architecture and hyper-parameter space for optimal neural networks. However, current state-of-the-art (SOTA) methods do not include traditional methods for manipulating input data as part of the algorithmic search space. We adapt the Evolutionary Multi-objective Algorithm Design Engine (EMADE), a multi-objective evolutionary search framework for traditional machine learning methods, to perform neural architecture search. We also integrate EMADE's signal processing and image processing primitives. These primitives allow EMADE to manipulate input data before ingestion into the simultaneously evolved DNN. We show that including these methods as part of the search space shows potential to provide benefits to performance on the CIFAR-10 image classification benchmark dataset.

It is well-known that the worst-case minimax regret for sparse linear bandits is $\widetilde{\Theta}\left(\sqrt{dT}\right)$ where $d$ is the ambient dimension and $T$ is the number of time steps (ignoring the dependency on sparsity). On the other hand, in the benign setting where there is no noise and the action set is the unit sphere, one can use divide-and-conquer to achieve an $\widetilde{\mathcal O}(1)$ regret, which is (nearly) independent of $d$ and $T$. In this paper, we present the first variance-aware regret guarantee for sparse linear bandits: $\widetilde{\mathcal O}\left(\sqrt{d\sum_{t=1}^T \sigma_t^2} + 1\right)$, where $\sigma_t^2$ is the variance of the noise at the $t$-th time step. This bound naturally interpolates the regret bounds for the worst-case constant-variance regime ($\sigma_t = \Omega(1)$) and the benign deterministic regimes ($\sigma_t = 0$). To achieve this variance-aware regret guarantee, we develop a general framework that converts any variance-aware linear bandit algorithm to a variance-aware algorithm for sparse linear bandits in a ``black-box'' manner. Specifically, we take two recent algorithms as black boxes to illustrate that the claimed bounds indeed hold, where the first algorithm can handle unknown-variance cases and the second one is more efficient.

Ocean wave climate has a significant impact on near-shore and off-shore human activities, and its characterisation can help in the design of ocean structures such as wave energy converters and sea dikes. Therefore, engineers need long time series of ocean wave parameters. Numerical models are a valuable source of ocean wave data; however, they are computationally expensive. Consequently, statistical and data-driven approaches have gained increasing interest in recent decades. This work investigates the spatio-temporal relationship between North Atlantic wind and significant wave height (Hs) at an off-shore location in the Bay of Biscay, using a two-stage deep learning model. The first step uses convolutional neural networks (CNNs) to extract the spatial features that contribute to Hs. Then, long short-term memory (LSTM) is used to learn the long-term temporal dependencies between wind and waves.

This paper deals with symbolic time series representation. It builds up on the popular mapping technique Symbolic Aggregate approXimation algorithm (SAX), which is extensively utilized in sequence classification, pattern mining, anomaly detection, time series indexing and other data mining tasks. However, the disadvantage of this method is, that it works reliably only for time series with Gaussian-like distribution. In our previous work we have proposed an improvement of SAX, called dwSAX, which can deal with Gaussian as well as non-Gaussian data distribution. Recently we have made further progress in our solution - edwSAX. Our goal was to optimally cover the information space by means of sufficient alphabet utilization; and to satisfy lower bounding criterion as tight as possible. We describe here our approach, including evaluation on commonly employed tasks such as time series reconstruction error and Euclidean distance lower bounding with promising improvements over SAX.  ( 2 min )

As the machine learning and systems communities strive to achieve higher energy-efficiency through custom deep neural network (DNN) accelerators, varied bit precision or quantization levels, there is a need for design space exploration frameworks that incorporate quantization-aware processing elements (PE) into the accelerator design space while having accurate and fast power, performance, and area models. In this work, we present QADAM, a highly parameterized quantization-aware power, performance, and area modeling framework for DNN accelerators. Our framework can facilitate future research on design space exploration and Pareto-efficiency of DNN accelerators for various design choices such as bit precision, PE type, scratchpad sizes of PEs, global buffer size, number of total PEs, and DNN configurations. Our results show that different bit precisions and PE types lead to significant differences in terms of performance per area and energy. Specifically, our framework identifies a wide range of design points where performance per area and energy varies more than 5x and 35x, respectively. We also show that the proposed lightweight processing elements (LightPEs) consistently achieve Pareto-optimal results in terms of accuracy and hardware-efficiency. With the proposed framework, we show that LightPEs achieve on par accuracy results and up to 5.7x more performance per area and energy improvement when compared to the best INT16 based design.

Network-on-chip (NoC) architectures rely on buffers to store flits to cope with contention for router resources during packet switching. Recently, reversible multi-function channel (RMC) buffers have been proposed to simultaneously reduce power and enable adaptive NoC buffering between adjacent routers. While adaptive buffering can improve NoC performance by maximizing buffer utilization, controlling the RMC buffer allocations requires a congestion-aware, scalable, and proactive policy. In this work, we present RACE, a novel reinforcement learning (RL) framework that utilizes better awareness of network congestion and a new reward metric ("falsefulls") to help guide the RL agent towards better RMC buffer control decisions. We show that RACE reduces NoC latency by up to 48.9%, and energy consumption by up to 47.1% against state-of-the-art NoC buffer control policies.

Real-world data typically contain a large number of features that are often heterogeneous in nature, relevance, and also units of measure. When assessing the similarity between data points, one can build various distance measures using subsets of these features. Using the fewest features but still retaining sufficient information about the system is crucial in many statistical learning approaches, particularly when data are sparse. We introduce a statistical test that can assess the relative information retained when using two different distance measures, and determine if they are equivalent, independent, or if one is more informative than the other. This in turn allows finding the most informative distance measure out of a pool of candidates. The approach is applied to find the most relevant policy variables for controlling the Covid-19 epidemic and to find compact yet informative representations of atomic structures, but its potential applications are wide ranging in many branches of science.  ( 2 min )

Statistical learning is the process of estimating an unknown probabilistic input-output relationship of a system using a limited number of observations; a statistical learning machine (SLM) is the algorithm, function, model, or rule, that learns such a process; and machine learning (ML) is the conventional name of this field. ML and its applications are ubiquitous in the modern world. Cyberphysical systems such as Automatic target recognition (ATR) in military applications, computer aided diagnosis (CAD) in medical imaging, DNA microarrays in genomics, optical character recognition (OCR), speech recognition (SR), spam email filtering, stock market prediction, etc., are few examples and applications for ML; diverse fields but one theory. In particular, ML has gained a lot of attention in the field of cyberphysical security, especially in the last decade. It is of great importance to this field to design detection algorithms that have the capability of learning from security data to be able to hunt threats, achieve better monitoring, master the complexity of the threat intelligence feeds, and achieve timely remediation of security incidents. The field of ML can be decomposed into two basic subfields: \textit{construction} and \textit{assessment}. We mean by \textit{construction} designing or inventing an appropriate algorithm that learns from the input data and achieves a good performance according to some optimality criterion. We mean by \textit{assessment} attributing some performance measures to the constructed ML algorithm, along with their estimators, to objectively assess this algorithm.  ( 2 min )

We initiate a formal study of reproducibility in optimization. We define a quantitative measure of reproducibility of optimization procedures in the face of noisy or error-prone operations such as inexact or stochastic gradient computations or inexact initialization. We then analyze several convex optimization settings of interest such as smooth, non-smooth, and strongly-convex objective functions and establish tight bounds on the limits of reproducibility in each setting. Our analysis reveals a fundamental trade-off between computation and reproducibility: more computation is necessary (and sufficient) for better reproducibility.  ( 2 min )

A dynamic treatment regimen (DTR) is a set of decision rules to personalize treatments for an individual using their medical history. The Q-learning based Q-shared algorithm has been used to develop DTRs that involve decision rules shared across multiple stages of intervention. We show that the existing Q-shared algorithm can suffer from non-convergence due to the use of linear models in the Q-learning setup, and identify the condition in which Q-shared fails. Leveraging properties from expansion-constrained ordinary least-squares, we give a penalized Q-shared algorithm that not only converges in settings that violate the condition, but can outperform the original Q-shared algorithm even when the condition is satisfied. We give evidence for the proposed method in a real-world application and several synthetic simulations.  ( 2 min )

Contextual bandits are canonical models for sequential decision-making under uncertainty in environments with time-varying components. In this setting, the expected reward of each bandit arm consists of the inner product of an unknown parameter with the context vector of that arm. The classical bandit settings heavily rely on assuming that the contexts are fully observed, while study of the richer model of imperfectly observed contextual bandits is immature. This work considers Greedy reinforcement learning policies that take actions as if the current estimates of the parameter and of the unobserved contexts coincide with the corresponding true values. We establish that the non-asymptotic worst-case regret grows poly-logarithmically with the time horizon and the failure probability, while it scales linearly with the number of arms. Numerical analysis showcasing the above efficiency of Greedy policies is also provided.  ( 2 min )

As a dominant paradigm, fine-tuning a pre-trained model on the target data is widely used in many deep learning applications, especially for small data sets. However, recent studies have empirically shown that training from scratch has the final performance that is no worse than this pre-training strategy once the number of training samples is increased in some vision tasks. In this work, we revisit this phenomenon from the perspective of generalization analysis by using excess risk bound which is popular in learning theory. The result reveals that the excess risk bound may have a weak dependency on the pre-trained model. The observation inspires us to leverage pre-training data for fine-tuning, since this data is also available for fine-tuning. The generalization result of using pre-training data shows that the excess risk bound on a target task can be improved when the appropriate pre-training data is included in fine-tuning. With the theoretical motivation, we propose a novel selection strategy to select a subset from pre-training data to help improve the generalization on the target task. Extensive experimental results for image classification tasks on 8 benchmark data sets verify the effectiveness of the proposed data selection based fine-tuning pipeline.  ( 2 min )

Manifold-valued functional data analysis (FDA) recently becomes an active area of research motivated by the raising availability of trajectories or longitudinal data observed on non-linear manifolds. The challenges of analyzing such data come from many aspects, including infinite dimensionality and nonlinearity, as well as time-domain or phase variability. In this paper, we study the amplitude part of manifold-valued functions on $\mathbb{S}^2$, which is invariant to random time warping or re-parameterization. Utilizing the nice geometry of $\mathbb{S}^2$, we develop a set of efficient and accurate tools for temporal alignment of functions, geodesic computing, and sample mean calculation. At the heart of these tools, they rely on gradient descent algorithms with carefully derived gradients. We show the advantages of these newly developed tools over its competitors with extensive simulations and real data and demonstrate the importance of considering the amplitude part of functions instead of mixing it with phase variability in manifold-valued FDA.  ( 2 min )

With the recent advance of deep learning, neural networks have been extensively used for data in non-Euclidean domains. In particular, hyperbolic neural networks have proved successful in processing hierarchical information of data. While a variety of hyperbolic neural network structures have been proposed, they mainly focus on discriminative tasks, and generative models in the hyperbolic space have scarcely been studied. In this work, we propose a hyperbolic generative adversarial network (GAN) within the Lorentz model for generating hyperbolic data. In addition to existing hyperbolic operations, we design novel hyperbolic layers to guarantee stable training. We first use synthetic data to show that our network is able to learn simple distribution in the hyperbolic space. Moreover, by virtue of an autoencoder, we construct a neural network model, named HAEGAN, for generating more complex data in the hyperbolic space. HAEGAN contains three parts: first, a hyperbolic autoencoder; second, a hyperbolic GAN for generating the latent embedding of the autoencoder; third, a generator that inherits the decoder from autoencoder and the generator from the GAN. Experiments show that HAEGAN is able to generate complex data with state-of-the-art structure-related performance.  ( 2 min )

Can we use spiking neural networks (SNN) as generative models of multi-neuronal recordings, while taking into account that most neurons are unobserved? Modeling the unobserved neurons with large pools of hidden spiking neurons leads to severely underconstrained problems that are hard to tackle with maximum likelihood estimation. In this work, we use coarse-graining and mean-field approximations to derive a bottom-up, neuronally-grounded latent variable model (neuLVM), where the activity of the unobserved neurons is reduced to a low-dimensional mesoscopic description. In contrast to previous latent variable models, neuLVM can be explicitly mapped to a recurrent, multi-population SNN, giving it a transparent biological interpretation. We show, on synthetic spike trains, that a few observed neurons are sufficient for neuLVM to perform efficient model inversion of large SNNs, in the sense that it can recover connectivity parameters, infer single-trial latent population activity, reproduce ongoing metastable dynamics, and generalize when subjected to perturbations mimicking photo-stimulation.  ( 2 min )

A simple model to study subspace clustering is the high-dimensional $k$-Gaussian mixture model where the cluster means are sparse vectors. Here we provide an exact asymptotic characterization of the statistically optimal reconstruction error in this model in the high-dimensional regime with extensive sparsity, i.e. when the fraction of non-zero components of the cluster means $\rho$, as well as the ratio $\alpha$ between the number of samples and the dimension are fixed, while the dimension diverges. We identify the information-theoretic threshold below which obtaining a positive correlation with the true cluster means is statistically impossible. Additionally, we investigate the performance of the approximate message passing (AMP) algorithm analyzed via its state evolution, which is conjectured to be optimal among polynomial algorithm for this task. We identify in particular the existence of a statistical-to-computational gap between the algorithm that require a signal-to-noise ratio $\lambda_{\text{alg}} \ge k / \sqrt{\alpha} $ to perform better than random, and the information theoretic threshold at $\lambda_{\text{it}} \approx \sqrt{-k \rho \log{\rho}} / \sqrt{\alpha}$. Finally, we discuss the case of sub-extensive sparsity $\rho$ by comparing the performance of the AMP with other sparsity-enhancing algorithms, such as sparse-PCA and diagonal thresholding.  ( 2 min )

Many functions have approximately-known upper and/or lower bounds, potentially aiding the modeling of such functions. In this paper, we introduce Gaussian process models for functions where such bounds are (approximately) known. More specifically, we propose the first use of such bounds to improve Gaussian process (GP) posterior sampling and Bayesian optimization (BO). That is, we transform a GP model satisfying the given bounds, and then sample and weight functions from its posterior. To further exploit these bounds in BO settings, we present bounded entropy search (BES) to select the point gaining the most information about the underlying function, estimated by the GP samples, while satisfying the output constraints. We characterize the sample variance bounds and show that the decision made by BES is explainable. Our proposed approach is conceptually straightforward and can be used as a plug in extension to existing methods for GP posterior sampling and Bayesian optimization.  ( 2 min )

Long range forecasts are the starting point of many decision support systems that need to draw inference from high-level aggregate patterns on forecasted values. State of the art time-series forecasting methods are either subject to concept drift on long-horizon forecasts, or fail to accurately predict coherent and accurate high-level aggregates. In this work, we present a novel probabilistic forecasting method that produces forecasts that are coherent in terms of base level and predicted aggregate statistics. We achieve the coherency between predicted base-level and aggregate statistics using a novel inference method based on KL-divergence that can be solved efficiently in closed form. We show that our method improves forecast performance across both base level and unseen aggregates post inference on real datasets ranging three diverse domains. (\href{https://github.com/pratham16cse/AggForecaster}{Project URL})  ( 2 min )

The recent success of neural network models has shone light on a rather surprising statistical phenomenon: statistical models that perfectly fit noisy data can generalize well to unseen test data. Understanding this phenomenon of $\textit{benign overfitting}$ has attracted intense theoretical and empirical study. In this paper, we consider interpolating two-layer linear neural networks trained with gradient flow on the squared loss and derive bounds on the excess risk when the covariates satisfy sub-Gaussianity and anti-concentration properties, and the noise is independent and sub-Gaussian. By leveraging recent results that characterize the implicit bias of this estimator, our bounds emphasize the role of both the quality of the initialization as well as the properties of the data covariance matrix in achieving low excess risk.  ( 2 min )

Screening experiments are useful for screening out a small number of truly important factors from a large number of potentially important factors. The Gauss-Dantzig Selector (GDS) is often the preferred analysis method for screening experiments. Just considering main-effects models can result in erroneous conclusions, but including interaction terms, even if restricted to two-factor interactions, increases the number of model terms dramatically and challenges the GDS analysis. We propose a new analysis method, called Gauss-Dantzig Selector Aggregation over Random Models (GDS-ARM), which performs a GDS analysis on multiple models that include only some randomly selected interactions. Results from these different analyses are then aggregated to identify the important factors. We discuss the proposed method, suggest choices for the tuning parameters, and study its performance on real and simulated data.  ( 2 min )

In many real-world inverse problems, only incomplete measurement data are available for training which can pose a problem for learning a reconstruction function. Indeed, unsupervised learning using a fixed incomplete measurement process is impossible in general, as there is no information in the nullspace of the measurement operator. This limitation can be overcome by using measurements from multiple operators. While this idea has been successfully applied in various applications, a precise characterization of the conditions for learning is still lacking. In this paper, we fill this gap by presenting necessary and sufficient conditions for learning the underlying signal model needed for reconstruction which indicate the interplay between the number of distinct measurement operators, the number of measurements per operator, the dimension of the model and the dimension of the signals. Furthermore, we propose a novel and conceptually simple unsupervised learning loss which only requires access to incomplete measurement data and achieves a performance on par with supervised learning when the sufficient condition is verified. We validate our theoretical bounds and demonstrate the advantages of the proposed unsupervised loss compared to previous methods via a series of experiments on various imaging inverse problems, such as accelerated magnetic resonance imaging, compressed sensing and image inpainting.  ( 2 min )

Observational cohort studies are increasingly being used for comparative effectiveness research to assess the safety of therapeutics. Recently, various doubly robust methods have been proposed for average treatment effect estimation by combining the treatment model and the outcome model via different vehicles, such as matching, weighting, and regression. The key advantage of doubly robust estimators is that they require either the treatment model or the outcome model to be correctly specified to obtain a consistent estimator of average treatment effects, and therefore lead to a more accurate and often more precise inference. However, little work has been done to understand how doubly robust estimators differ due to their unique strategies of using the treatment and outcome models and how machine learning techniques can be combined with these estimators to boost their performance. Also, little has been understood about the challenges of covariates selection, overlapping of covariate distribution, and treatment effect heterogeneity on the performance of these doubly robust estimators. Here we examine multiple popular doubly robust methods in the categories of matching, weighting, or regression, and compare their performance using different treatment and outcome modeling via extensive simulations and a real-world application. We found that incorporating machine learning with doubly robust estimators such as the targeted maximum likelihood estimator gives the best overall performance. Practical guidance on how to apply doubly robust estimators is provided.  ( 2 min )

Selective classification is the task of rejecting inputs a model would predict incorrectly on through a trade-off between input space coverage and model accuracy. Current methods for selective classification impose constraints on either the model architecture or the loss function; this inhibits their usage in practice. In contrast to prior work, we show that state-of-the-art selective classification performance can be attained solely from studying the (discretized) training dynamics of a model. We propose a general framework that, for a given test input, monitors metrics capturing the disagreement with the final predicted label over intermediate models obtained during training; we then reject data points exhibiting too much disagreement at late stages in training. In particular, we instantiate a method that tracks when the label predicted during training stops disagreeing with the final predicted label. Our experimental evaluation shows that our method achieves state-of-the-art accuracy/coverage trade-offs on typical selective classification benchmarks. For example, we improve coverage on CIFAR-10/SVHN by 10.1%/1.5% respectively at a fixed target error of 0.5%.  ( 2 min )

In the era of single-cell sequencing, there is a growing need to extract insights from data with clustering methods. Here, we introduce Forest Fire Clustering, an efficient and interpretable method for cell-type discovery from single-cell data. Forest Fire Clustering makes minimal prior assumptions and, different from current approaches, calculates a non-parametric posterior probability that each cell is assigned a cell-type label. These posterior distributions allow for the evaluation of a label confidence for each cell and enable the computation of "label entropies," highlighting transitions along developmental trajectories. Furthermore, we show that Forest Fire Clustering can make robust, inductive inferences in an online-learning context and can readily scale to millions of cells. Finally, we demonstrate that our method outperforms state-of-the-art clustering approaches on diverse benchmarks of simulated and experimental data. Overall, Forest Fire Clustering is a useful tool for rare cell type discovery in large-scale single-cell analysis.  ( 2 min )

Statistical learning theory provides bounds on the necessary number of training samples needed to reach a prescribed accuracy in a learning problem formulated over a given target class. This accuracy is typically measured in terms of a generalization error, that is, an expected value of a given loss function. However, for several applications -- for example in a security-critical context or for problems in the computational sciences -- accuracy in this sense is not sufficient. In such cases, one would like to have guarantees for high accuracy on every input value, that is, with respect to the uniform norm. In this paper we precisely quantify the number of training samples needed for any conceivable training algorithm to guarantee a given uniform accuracy on any learning problem formulated over target classes containing (or consisting of) ReLU neural networks of a prescribed architecture. We prove that, under very general assumptions, the minimal number of training samples for this task scales exponentially both in the depth and the input dimension of the network architecture. As a corollary we conclude that the training of ReLU neural networks to high uniform accuracy is intractable. In a security-critical context this points to the fact that deep learning based systems are prone to being fooled by a possible adversary. We corroborate our theoretical findings by numerical results.  ( 2 min )

Self-Supervised Learning (SSL) surmises that inputs and pairwise positive relationships are enough to learn meaningful representations. Although SSL has recently reached a milestone: outperforming supervised methods in many modalities\dots the theoretical foundations are limited, method-specific, and fail to provide principled design guidelines to practitioners. In this paper, we propose a unifying framework under the helm of spectral manifold learning to address those limitations. Through the course of this study, we will rigorously demonstrate that VICReg, SimCLR, BarlowTwins et al. correspond to eponymous spectral methods such as Laplacian Eigenmaps, Multidimensional Scaling et al. This unification will then allow us to obtain (i) the closed-form optimal representation for each method, (ii) the closed-form optimal network parameters in the linear regime for each method, (iii) the impact of the pairwise relations used during training on each of those quantities and on downstream task performances, and most importantly, (iv) the first theoretical bridge between contrastive and non-contrastive methods towards global and local spectral embedding methods respectively, hinting at the benefits and limitations of each. For example, (i) if the pairwise relation is aligned with the downstream task, any SSL method can be employed successfully and will recover the supervised method, but in the low data regime, VICReg's invariance hyper-parameter should be high; (ii) if the pairwise relation is misaligned with the downstream task, VICReg with small invariance hyper-parameter should be preferred over SimCLR or BarlowTwins.

Predictive distributions quantify uncertainties ignored by point estimates. This paper introduces \textit{The Neural Testbed}: an open-source benchmark for controlled and principled evaluation of agents that generate such predictions. Crucially, the testbed assesses agents not only on the quality of their marginal predictions per input, but also on their joint predictions across many inputs. We evaluate a range of agents using a simple neural network data generating process. Our results indicate that some popular Bayesian deep learning agents do not fare well with joint predictions, even when they can produce accurate marginal predictions. We also show that the quality of joint predictions drives performance in downstream decision tasks. We find these results are robust across choice a wide range of generative models, and highlight the practical importance of joint predictions to the community.

This paper considers doing quantile regression on censored data using neural networks (NNs). This adds to the survival analysis toolkit by allowing direct prediction of the target variable, along with a distribution-free characterisation of uncertainty, using a flexible function approximator. We begin by showing how an algorithm popular in linear models can be applied to NNs. However, the resulting procedure is inefficient, requiring sequential optimisation of an individual NN at each desired quantile. Our major contribution is a novel algorithm that simultaneously optimises a grid of quantiles output by a single NN. To offer theoretical insight into our algorithm, we show firstly that it can be interpreted as a form of expectation-maximisation, and secondly that it exhibits a desirable `self-correcting' property. Experimentally, the algorithm produces quantiles that are better calibrated than existing methods on 10 out of 12 real datasets.

An explanation for the success of deep neural networks is a central question in theoretical machine learning. According to classical statistical learning, the overparameterized nature of such models should imply a failure to generalize. Many argue that good empirical performance is due to the implicit regularization of first order optimization methods. In particular, the Polyak-{\L}ojasiewicz condition leads to gradient descent finding a global optimum that is close to initialization. In this work, we propose a framework consisting of a prototype learning problem, which is general enough to cover many popular problems and even the cases of infinitely wide neural networks and infinite data. We then perform an analysis from the perspective of the Polyak-{\L}ojasiewicz condition. We obtain theoretical results of independent interest, concerning gradient descent on a composition $(f \circ F): G \to \mathbb{R}$ of functions $F: G \to H$ and $f: H \to \mathbb{R}$ with $G, H$ being Hilbert spaces. Building on these results, we determine the properties that have to be satisfied by the components of the prototype problem for gradient descent to find a global optimum that is close to initialization. We then demonstrate that supervised learning, variational autoencoders and training with gradient penalty can be translated to the prototype problem. Finally, we lay out a number of directions for future research.

Feature attribution for kernel methods is often heuristic and not individualised for each prediction. To address this, we turn to the concept of Shapley values~(SV), a coalition game theoretical framework that has previously been applied to different machine learning model interpretation tasks, such as linear models, tree ensembles and deep networks. By analysing SVs from a functional perspective, we propose \textsc{RKHS-SHAP}, an attribution method for kernel machines that can efficiently compute both \emph{Interventional} and \emph{Observational Shapley values} using kernel mean embeddings of distributions. We show theoretically that our method is robust with respect to local perturbations - a key yet often overlooked desideratum for consistent model interpretation. Further, we propose \emph{Shapley regulariser}, applicable to a general empirical risk minimisation framework, allowing learning while controlling the level of specific feature's contributions to the model. We demonstrate that the Shapley regulariser enables learning which is robust to covariate shift of a given feature and fair learning which controls the SVs of sensitive features.

Recently, self-supervised learning has attracted great attention, since it only requires unlabeled data for training. Contrastive learning is one popular method for self-supervised learning and has achieved promising empirical performance. However, the theoretical understanding of its generalization ability is still limited. To this end, we define a kind of $(\sigma,\delta)$-measure to mathematically quantify the data augmentation, and then provide an upper bound of the downstream classification error based on the measure. We show that the generalization ability of contrastive self-supervised learning depends on three key factors: alignment of positive samples, divergence of class centers, and concentration of augmented data. The first two factors can be optimized by contrastive algorithms, while the third one is priorly determined by pre-defined data augmentation. With the above theoretical findings, we further study two canonical contrastive losses, InfoNCE and cross-correlation loss, and prove that both of them are indeed able to satisfy the first two factors. Moreover, we empirically verify the third factor by conducting various experiments on the real-world dataset, and show that our theoretical inferences on the relationship between the data augmentation and the generalization of contrastive self-supervised learning agree with the empirical observations.

This chapter is dedicated to the assessment and performance estimation of machine learning (ML) algorithms, a topic that is equally important to the construction of these algorithms, in particular in the context of cyberphysical security design. The literature is full of nonparametric methods to estimate a statistic from just one available dataset through resampling techniques, e.g., jackknife, bootstrap and cross validation (CV). Special statistics of great interest are the error rate and the area under the ROC curve (AUC) of a classification rule. The importance of these resampling methods stems from the fact that they require no knowledge about the probability distribution of the data or the construction details of the ML algorithm. This chapter provides a concise review of this literature to establish a coherent theoretical framework for these methods that can estimate both the error rate (a one-sample statistic) and the AUC (a two-sample statistic). The resampling methods are usually computationally expensive, because they rely on repeating the training and testing of a ML algorithm after each resampling iteration. Therefore, the practical applicability of some of these methods may be limited to the traditional ML algorithms rather than the very computationally demanding approaches of the recent deep neural networks (DNN). In the field of cyberphysical security, many applications generate structured (tabular) data, which can be fed to all traditional ML approaches. This is in contrast to the DNN approaches, which favor unstructured data, e.g., images, text, voice, etc.; hence, the relevance of this chapter to this field.%

Intelligence relies on an agent's knowledge of what it does not know. This capability can be assessed based on the quality of \textit{joint} predictions of labels across multiple inputs. Conventional neural networks lack this capability and, since most research has focused on marginal predictions, this shortcoming has been largely overlooked. We introduce the \textit{epistemic neural network} (ENN) as an interface for models that represent uncertainty as required to generate useful joint predictions. While prior approaches to uncertainty modeling such as Bayesian neural networks can be expressed as ENNs, this new interface facilitates comparison of joint predictions and the design of novel architectures and algorithms. In particular, we introduce the \textit{epinet}: an architecture that can supplement any conventional neural network, including large pretrained models, and can be trained with modest incremental computation to estimate uncertainty. With an epinet, conventional neural networks outperform very large ensembles, consisting of hundreds or more particles, with orders of magnitude less computation. We demonstrate this efficacy across synthetic data, ImageNet, and some reinforcement learning tasks. As part of this effort we open-source experiment code.

While classical in many theoretical settings, the assumption of Gaussian i.i.d. inputs is often perceived as a strong limitation in the analysis of high-dimensional learning. In this study, we redeem this line of work in the case of generalized linear classification with random labels. Our main contribution is a rigorous proof that data coming from a range of generative models in high-dimensions have the same minimum training loss as Gaussian data with corresponding data covariance. In particular, our theorem covers data created by an arbitrary mixture of homogeneous Gaussian clouds, as well as multi-modal generative neural networks. In the limit of vanishing regularization, we further demonstrate that the training loss is independent of the data covariance. Finally, we show that this universality property is observed in practice with real datasets and random labels.  ( 2 min )

We study distributed contextual linear bandits with stochastic contexts, where $N$ agents act cooperatively to solve a linear bandit-optimization problem with $d$-dimensional features. For this problem, we propose a distributed batch elimination version of the LinUCB algorithm, DisBE-LUCB, where the agents share information among each other through a central server. We prove that over $T$ rounds ($NT$ actions in total) the communication cost of DisBE-LUCB is only $\tilde{\mathcal{O}}(dN)$ and its regret is at most $\tilde{\mathcal{O}}(\sqrt{dNT})$, which is of the same order as that incurred by an optimal single-agent algorithm for $NT$ rounds. Remarkably, we derive an information-theoretic lower bound on the communication cost of the distributed contextual linear bandit problem with stochastic contexts, and prove that our proposed algorithm is nearly minimax optimal in terms of \emph{both regret and communication cost}. Finally, we propose DecBE-LUCB, a fully decentralized version of DisBE-LUCB, which operates without a central server, where agents share information with their \emph{immediate neighbors} through a carefully designed consensus procedure.  ( 2 min )

Meta-learning hyperparameter optimization (HPO) algorithms from prior experiments is a promising approach to improve optimization efficiency over objective functions from a similar distribution. However, existing methods are restricted to learning from experiments sharing the same set of hyperparameters. In this paper, we introduce the OptFormer, the first text-based Transformer HPO framework that provides a universal end-to-end interface for jointly learning policy and function prediction when trained on vast tuning data from the wild. Our extensive experiments demonstrate that the OptFormer can imitate at least 7 different HPO algorithms, which can be further improved via its function uncertainty estimates. Compared to a Gaussian Process, the OptFormer also learns a robust prior distribution for hyperparameter response functions, and can thereby provide more accurate and better calibrated predictions. This work paves the path to future extensions for training a Transformer-based model as a general HPO optimizer.  ( 2 min )

Relative Positional Encoding (RPE), which encodes the relative distance between any pair of tokens, is one of the most successful modifications to the original Transformer. As far as we know, theoretical understanding of the RPE-based Transformers is largely unexplored. In this work, we mathematically analyze the power of RPE-based Transformers regarding whether the model is capable of approximating any continuous sequence-to-sequence functions. One may naturally assume the answer is in the affirmative -- RPE-based Transformers are universal function approximators. However, we present a negative result by showing there exist continuous sequence-to-sequence functions that RPE-based Transformers cannot approximate no matter how deep and wide the neural network is. One key reason lies in that most RPEs are placed in the softmax attention that always generates a right stochastic matrix. This restricts the network from capturing positional information in the RPEs and limits its capacity. To overcome the problem and make the model more powerful, we first present sufficient conditions for RPE-based Transformers to achieve universal function approximation. With the theoretical guidance, we develop a novel attention module, called Universal RPE-based (URPE) Attention, which satisfies the conditions. Therefore, the corresponding URPE-based Transformers become universal function approximators. Extensive experiments covering typical architectures and tasks demonstrate that our model is parameter-efficient and can achieve superior performance to strong baselines in a wide range of applications.  ( 2 min )

It is well-known that the worst-case minimax regret for sparse linear bandits is $\widetilde{\Theta}\left(\sqrt{dT}\right)$ where $d$ is the ambient dimension and $T$ is the number of time steps (ignoring the dependency on sparsity). On the other hand, in the benign setting where there is no noise and the action set is the unit sphere, one can use divide-and-conquer to achieve an $\widetilde{\mathcal O}(1)$ regret, which is (nearly) independent of $d$ and $T$. In this paper, we present the first variance-aware regret guarantee for sparse linear bandits: $\widetilde{\mathcal O}\left(\sqrt{d\sum_{t=1}^T \sigma_t^2} + 1\right)$, where $\sigma_t^2$ is the variance of the noise at the $t$-th time step. This bound naturally interpolates the regret bounds for the worst-case constant-variance regime ($\sigma_t = \Omega(1)$) and the benign deterministic regimes ($\sigma_t = 0$). To achieve this variance-aware regret guarantee, we develop a general framework that converts any variance-aware linear bandit algorithm to a variance-aware algorithm for sparse linear bandits in a ``black-box'' manner. Specifically, we take two recent algorithms as black boxes to illustrate that the claimed bounds indeed hold, where the first algorithm can handle unknown-variance cases and the second one is more efficient.  ( 2 min )

In this paper, we propose a novel uniform generalization bound on the time and inverse temperature for stochastic gradient Langevin dynamics (SGLD) in a non-convex setting. While previous works derive their generalization bounds by uniform stability, we use Rademacher complexity to make our generalization bound independent of the time and inverse temperature. Using Rademacher complexity, we can reduce the problem to derive a generalization bound on the whole space to that on a bounded region and therefore can remove the effect of the time and inverse temperature from our generalization bound. As an application of our generalization bound, an evaluation on the effectiveness of the simulated annealing in a non-convex setting is also described. For the sample size $n$ and time $s$, we derive evaluations with orders $\sqrt{n^{-1} \log (n+1)}$ and $|(\log)^4(s)|^{-1}$, respectively. Here, $(\log)^4$ denotes the $4$ times composition of the logarithmic function.  ( 2 min )

We consider regret minimization for Adversarial Markov Decision Processes (AMDPs), where the loss functions are changing over time and adversarially chosen, and the learner only observes the losses for the visited state-action pairs (i.e., bandit feedback). While there has been a surge of studies on this problem using Online-Mirror-Descent (OMD) methods, very little is known about the Follow-the-Perturbed-Leader (FTPL) methods, which are usually computationally more efficient and also easier to implement since it only requires solving an offline planning problem. Motivated by this, we take a closer look at FTPL for learning AMDPs, starting from the standard episodic finite-horizon setting. We find some unique and intriguing difficulties in the analysis and propose a workaround to eventually show that FTPL is also able to achieve near-optimal regret bounds in this case. More importantly, we then find two significant applications: First, the analysis of FTPL turns out to be readily generalizable to delayed bandit feedback with order-optimal regret, while OMD methods exhibit extra difficulties (Jin et al., 2022). Second, using FTPL, we also develop the first no-regret algorithm for learning communicating AMDPs in the infinite-horizon setting with bandit feedback and stochastic transitions. Our algorithm is efficient assuming access to an offline planning oracle, while even for the easier full-information setting, the only existing algorithm (Chandrasekaran and Tewari, 2021) is computationally inefficient.  ( 2 min )

Reinforcement learning in partially observed Markov decision processes (POMDPs) faces two challenges. (i) It often takes the full history to predict the future, which induces a sample complexity that scales exponentially with the horizon. (ii) The observation and state spaces are often continuous, which induces a sample complexity that scales exponentially with the extrinsic dimension. Addressing such challenges requires learning a minimal but sufficient representation of the observation and state histories by exploiting the structure of the POMDP. To this end, we propose a reinforcement learning algorithm named Embed to Control (ETC), which learns the representation at two levels while optimizing the policy.~(i) For each step, ETC learns to represent the state with a low-dimensional feature, which factorizes the transition kernel. (ii) Across multiple steps, ETC learns to represent the full history with a low-dimensional embedding, which assembles the per-step feature. We integrate (i) and (ii) in a unified framework that allows a variety of estimators (including maximum likelihood estimators and generative adversarial networks). For a class of POMDPs with a low-rank structure in the transition kernel, ETC attains an $O(1/\epsilon^2)$ sample complexity that scales polynomially with the horizon and the intrinsic dimension (that is, the rank). Here $\epsilon$ is the optimality gap. To our best knowledge, ETC is the first sample-efficient algorithm that bridges representation learning and policy optimization in POMDPs with infinite observation and state spaces.  ( 2 min )

We consider a fair representation learning perspective, where optimal predictors, on top of the data representation, are ensured to be invariant with respect to different sub-groups. Specifically, we formulate this intuition as a bi-level optimization, where the representation is learned in the outer-loop, and invariant optimal group predictors are updated in the inner-loop. Moreover, the proposed bi-level objective is demonstrated to fulfill the sufficiency rule, which is desirable in various practical scenarios but was not commonly studied in the fair learning. Besides, to avoid the high computational and memory cost of differentiating in the inner-loop of bi-level objective, we propose an implicit path alignment algorithm, which only relies on the solution of inner optimization and the implicit differentiation rather than the exact optimization path. We further analyze the error gap of the implicit approach and empirically validate the proposed method in both classification and regression settings. Experimental results show the consistently better trade-off in prediction performance and fairness measurement.  ( 2 min )

Deep reinforcement learning (DRL)-based combinatorial optimization (CO) methods (i.e., DRL-NCO) have shown significant merit over the conventional CO solvers as DRL-NCO is capable of learning CO solvers without supervised labels attained from the verified solver. This paper presents a novel training scheme, Sym-NCO, that achieves significant performance increments to existing DRL-NCO methods. Sym-NCO is a regularizer-based training scheme that leverages universal symmetricities in various CO problems and solutions. Imposing symmetricities such as rotational and reflectional invariance can greatly improve generalization capability of DRL-NCO as symmetricities are invariant features shared by certain CO tasks. Our experimental results verify that our Sym-NCO greatly improves the performance of DRL-NCO methods in four CO tasks, including traveling salesman problem (TSP), capacitated vehicle routing problem (CVRP), prize collecting TSP (PCTSP), and orienteering problem (OP), without employing problem-specific techniques. Remarkably, Sym-NCO outperformed not only the existing DRL-NCO methods but also a competitive conventional solver, the iterative local search (ILS), in PCTSP at 240 times faster speed.  ( 2 min )

The workhorse of machine learning is stochastic gradient descent. To access stochastic gradients, it is common to consider iteratively input/output pairs of a training dataset. Interestingly, it appears that one does not need full supervision to access stochastic gradients, which is the main motivation of this paper. After formalizing the "active labeling" problem, which generalizes active learning based on partial supervision, we provide a streaming technique that provably minimizes the ratio of generalization error over number of samples. We illustrate our technique in depth for robust regression.  ( 2 min )

Complex diseases are caused by a multitude of factors that may differ between patients even within the same diagnostic category. A few underlying root causes may nevertheless initiate the development of disease within each patient. We therefore focus on identifying patient-specific root causes of disease, which we equate to the sample-specific predictivity of the exogenous error terms in a structural equation model. We generalize from the linear setting to the heteroscedastic noise model where $Y = m(X) + \varepsilon\sigma(X)$ with non-linear functions $m(X)$ and $\sigma(X)$ representing the conditional mean and mean absolute deviation, respectively. This model preserves identifiability but introduces non-trivial challenges that require a customized algorithm called Generalized Root Causal Inference (GRCI) to extract the error terms correctly. GRCI recovers patient-specific root causes more accurately than existing alternatives.  ( 2 min )

Recommender Systems (RS) pervade many aspects of our everyday digital life. Proposed to work at scale, state-of-the-art RS allow the modeling of thousands of interactions and facilitate highly individualized recommendations. Conceptually, many RS can be viewed as instances of statistical regression models that incorporate complex feature effects and potentially non-Gaussian outcomes. Such structured regression models, including time-aware varying coefficients models, are, however, limited in their applicability to categorical effects and inclusion of a large number of interactions. Here, we propose Factorized Structured Regression (FaStR) for scalable varying coefficient models. FaStR overcomes limitations of general regression models for large-scale data by combining structured additive regression and factorization approaches in a neural network-based model implementation. This fusion provides a scalable framework for the estimation of statistical models in previously infeasible data settings. Empirical results confirm that the estimation of varying coefficients of our approach is on par with state-of-the-art regression techniques, while scaling notably better and also being competitive with other time-aware RS in terms of prediction performance. We illustrate FaStR's performance and interpretability on a large-scale behavioral study with smartphone user data.  ( 2 min )

While mixture of linear regressions (MLR) is a well-studied topic, prior works usually do not analyze such models for prediction error. In fact, {\em prediction} and {\em loss} are not well-defined in the context of mixtures. In this paper, first we show that MLR can be used for prediction where instead of predicting a label, the model predicts a list of values (also known as {\em list-decoding}). The list size is equal to the number of components in the mixture, and the loss function is defined to be minimum among the losses resulted by all the component models. We show that with this definition, a solution of the empirical risk minimization (ERM) achieves small probability of prediction error. This begs for an algorithm to minimize the empirical risk for MLR, which is known to be computationally hard. Prior algorithmic works in MLR focus on the {\em realizable} setting, i.e., recovery of parameters when data is probabilistically generated by a mixed linear (noisy) model. In this paper we show that a version of the popular alternating minimization (AM) algorithm finds the best fit lines in a dataset even when a realizable model is not assumed, under some regularity conditions on the dataset and the initial points, and thereby provides a solution for the ERM. We further provide an algorithm that runs in polynomial time in the number of datapoints, and recovers a good approximation of the best fit lines. The two algorithms are experimentally compared.  ( 2 min )

Ocean wave climate has a significant impact on near-shore and off-shore human activities, and its characterisation can help in the design of ocean structures such as wave energy converters and sea dikes. Therefore, engineers need long time series of ocean wave parameters. Numerical models are a valuable source of ocean wave data; however, they are computationally expensive. Consequently, statistical and data-driven approaches have gained increasing interest in recent decades. This work investigates the spatio-temporal relationship between North Atlantic wind and significant wave height (Hs) at an off-shore location in the Bay of Biscay, using a two-stage deep learning model. The first step uses convolutional neural networks (CNNs) to extract the spatial features that contribute to Hs. Then, long short-term memory (LSTM) is used to learn the long-term temporal dependencies between wind and waves.  ( 2 min )

The computation of Wasserstein gradient direction is essential for posterior sampling problems and scientific computing. The approximation of the Wasserstein gradient with finite samples requires solving a variational problem. We study the variational problem in the family of two-layer networks with squared-ReLU activations, towards which we derive a semi-definite programming (SDP) relaxation. This SDP can be viewed as an approximation of the Wasserstein gradient in a broader function family including two-layer networks. By solving the convex SDP, we obtain the optimal approximation of the Wasserstein gradient direction in this class of functions. Numerical experiments including PDE-constrained Bayesian inference and parameter estimation in COVID-19 modeling demonstrate the effectiveness of the proposed method.  ( 2 min )

Due to the drastic gap in complexity between sequential and batch statistical learning, recent work has studied a smoothed sequential learning setting, where Nature is constrained to select contexts with density bounded by 1/{\sigma} with respect to a known measure {\mu}. Unfortunately, for some function classes, there is an exponential gap between the statistically optimal regret and that which can be achieved efficiently. In this paper, we give a computationally efficient algorithm that is the first to enjoy the statistically optimal log(T/{\sigma}) regret for realizable K-wise linear classification. We extend our results to settings where the true classifier is linear in an over-parameterized polynomial featurization of the contexts, as well as to a realizable piecewise-regression setting assuming access to an appropriate ERM oracle. Somewhat surprisingly, standard disagreement-based analyses are insufficient to achieve regret logarithmic in 1/{\sigma}. Instead, we develop a novel characterization of the geometry of the disagreement region induced by generalized linear classifiers. Along the way, we develop numerous technical tools of independent interest, including a general anti-concentration bound for the determinant of certain matrix averages.  ( 2 min )

We propose new ensemble models for multivariate functional data classification as combinations of semi-metric-based weak learners. Our models extend current semi-metric-type methods from the univariate to the multivariate case, propose new semi-metrics to compute distances between functions, and consider more flexible options for combining weak learners using stacked generalisation methods. We apply these ensemble models to identify respondents' difficulty with survey questions, with the aim to improve survey data quality. As predictors of difficulty, we use mouse movement trajectories from the respondents' interaction with a web survey, in which several questions were manipulated to create two scenarios with different levels of difficulty.  ( 2 min )

While a broad range of techniques have been proposed to tackle distribution shift, the simple baseline of training on an $\textit{undersampled}$ dataset often achieves close to state-of-the-art-accuracy across several popular benchmarks. This is rather surprising, since undersampling algorithms discard excess majority group data. To understand this phenomenon, we ask if learning is fundamentally constrained by a lack of minority group samples. We prove that this is indeed the case in the setting of nonparametric binary classification. Our results show that in the worst case, an algorithm cannot outperform undersampling unless there is a high degree of overlap between the train and test distributions (which is unlikely to be the case in real-world datasets), or if the algorithm leverages additional structure about the distribution shift. In particular, in the case of label shift we show that there is always an undersampling algorithm that is minimax optimal. While in the case of group-covariate shift we show that there is an undersampling algorithm that is minimax optimal when the overlap between the group distributions is small. We also perform an experimental case study on a label shift dataset and find that in line with our theory the test accuracy of robust neural network classifiers is constrained by the number of minority samples.  ( 2 min )

Many projects (both practical and academic) have designed algorithms to match users to content they will enjoy under the assumption that user's preferences and opinions do not change with the content they see. Evidence suggests that individuals' preferences are directly shaped by what content they see -- radicalization, rabbit holes, polarization, and boredom are all example phenomena of preferences affected by content. Polarization in particular can occur even in ecosystems with "mass media," where no personalization takes place, as recently explored in a natural model of preference dynamics by~\citet{hkazla2019geometric} and~\citet{gaitonde2021polarization}. If all users' preferences are drawn towards content they already like, or are repelled from content they already dislike, uniform consumption of media leads to a population of heterogeneous preferences converging towards only two poles. In this work, we explore whether some phenomenon akin to polarization occurs when users receive \emph{personalized} content recommendations. We use a similar model of preference dynamics, where an individual's preferences move towards content the consume and enjoy, and away from content they consume and dislike. We show that standard user reward maximization is an almost trivial goal in such an environment (a large class of simple algorithms will achieve only constant regret). A more interesting objective, then, is to understand under what conditions a recommendation algorithm can ensure stationarity of user's preferences. We show how to design a content recommendations which can achieve approximate stationarity, under mild conditions on the set of available content, when a user's preferences are known, and how one can learn enough about a user's preferences to implement such a strategy even when user preferences are initially unknown.  ( 2 min )

I'm currently working on a project that aims to generate summaries of slide decks / powerpoint presentations. I'm looking to augment the dataset that I have with some additional slides (hopefully but not necessarily paired with summaries), and wondered if anyone here has come across a dataset I could use. My initial thoughts were to use research paper abstracts paired with conference presentation slides. I was able to collect such a dataset from past ICML publications, however many of the slides are overly technical and lack natural language (e.g. presentations consisting of nothing but equations). Additionally these presentations are quite bit out of distribution with respect to the domain I'd be applying it to (business). So, my question: does anyone know of any publicly available datasets that are composed of slides/presentations, or of any other resources like conferences (particularly in business oriented fields, e.g., finance, marketing, business administration, operations management) that have easily accessible pairs of slide presentations and summaries (either paper abstracts or other forms)? Thanks in advance! submitted by /u/mamossa [link] [comments]  ( 1 min )

I'm interested in developing trading algorithms (not bots) using machine learning techniques. I'm a very experienced software developer, I've worked in trading for many years and I am mathematical (couple of masters degrees in engineering- did Fourier Analysis, Laplace, autocorrelation, statistics etc) but haven't used it for years. Whilst looking for machine learning books there appear to be two approaches: Practical/use existing Python libraries (Hands on Machine Learning with Scikit......) Theory, understand the fundamental statistics (The Elements of Statistical Learning) Do I need to/what is the advantage of understanding the fundamental statistics? Is it possible to simply use existing ML libraries, configure parameters and run simulations? If I need to teach myself it, I will. But if there's very small benefit it's better I invest my time elsewhere. Any additional advice would be greatly appreciated. I'm not sure what holding-period yet (HFT or statistical arbitrage) but please feel free to distinguish if the answer differs. submitted by /u/reddit_faa7777 [link] [comments]  ( 2 min )

Paper: https://arxiv.org/abs/2205.12755 Abstract: "Multitask learning assumes that models capable of learning from multiple tasks can achieve better quality and efficiency via knowledge transfer, a key feature of human learning. Though, state of the art ML models rely on high customization for each task and leverage size and data scale rather than scaling the number of tasks. Also, continual learning, that adds the temporal aspect to multitask, is often focused to the study of common pitfalls such as catastrophic forgetting instead of being studied at a large scale as a critical component to build the next generation artificial intelligence. We propose an evolutionary method that can generate a large scale multitask model, and can support the dynamic and continuous addition of new tasks. The generated multitask model is sparsely activated and integrates a task-based routing that guarantees bounded compute cost and fewer added parameters per task as the model expands. The proposed method relies on a knowledge compartmentalization technique to achieve immunity against catastrophic forgetting and other common pitfalls such as gradient interference and negative transfer. We empirically show that the proposed method can jointly solve and achieve competitive results on 69image classification tasks, for example achieving the best test accuracy reported for a model trained only on public data for competitive tasks such as cifar10: 99.43%." https://www.youtube.com/watch?v=Pcin4hPGaOk https://preview.redd.it/ni93muz8fv191.jpg?width=1108&format=pjpg&auto=webp&s=1782b2100bcedd03db4443fa6c58ef7c4c904488 https://preview.redd.it/8txpqsgafv191.jpg?width=987&format=pjpg&auto=webp&s=f723e57e78f81ce38c19917af2db3352f8d3a47c https://preview.redd.it/qb0xj9safv191.jpg?width=1128&format=pjpg&auto=webp&s=792056a1ae7b72a36d6e429d92e13f0f11249e8e submitted by /u/Singularian2501 [link] [comments]  ( 1 min )

You have a combined dataset consisting of 10 component datasets collected from 10 different sources. Independent models trained separately on each component dataset perform well on hold-out examples from that dataset. However, the aggregated model trained by combining the examples from all component datasets behaves weirdly. On hold-out examples from some component datasets, the aggregated model performs better than the independent models. On others, it performs worse than the independent models. During deployment, you expect to see input examples from these 10 component sources but also from many other sources which the model has not been trained on. What approach will you take to develop a model that will generalize well to examples from the seen and also the yet-unseen sources? submitted by /u/corporatededmeat [link] [comments]  ( 1 min )

Hi all, The Author is here. TL;DR: We show how StyleGAN can be adapted to raw unaligned images collected from the Internet. New datasets and models are available. ​ How can we adapt StyleGAN to more complicated datasets? We have witnessed that a data-centric approach is the most effective. Raw image collections downloaded from the internet contain many outlier images and are characterized by a multi-modal distribution. Therefore, we perform automatic self-supervised filtering of the training data to remove the outliers. Our key idea is to use the generator itself for the filtering. In the second step, we employ a multi-modal variant of the StyleGAN truncation trick. This allows high quality generation while preserving the remarkable editing capabilities of StyleGAN. For more details and cool gifs, check our Project Page:https://self-distilled-stylegan.github.io/ Datasets and models: https://github.com/self-distilled-stylegan/self-distilled-internet-photos The datasets also can be directly downloaded: https://github.com/rmokady/SDIP_utils Demo for image generation: https://huggingface.co/spaces/hysts/Self-Distilled-StyleGAN ​ Feel free to ask anything that comes to your mind ​ Generated Dog Generated Elephant submitted by /u/RonMokady [link] [comments]  ( 1 min )

submitted by /u/downtownslim [link] [comments]  ( 3 min )

submitted by /u/Wiskkey [link] [comments]  ( 4 min )

Does anyone know of any interesting Semantic Segmentation and/or Remote Sensing competition taking place this summer? Most of what I found ends in the next 1-2 weeks. submitted by /u/incognitoacnt [link] [comments]

Hello everyone, I work on the development of a host monitoring system called Netdata, a free and open source software. I found it interesting to present here the new anomalies tab which shows high anomaly rates on all its nodes using machine learning. We made a post on our blog about it in more detail. https://www.netdata.cloud/blog/introducing-anomaly-advisor-unsupervised-anomaly-detection-in-netdata/ submitted by /u/roeant [link] [comments]

submitted by /u/alimhabidi [link] [comments]

Could not find an answer to this question online. submitted by /u/ShallowStroker [link] [comments]  ( 1 min )

submitted by /u/UBIAI [link] [comments]  ( 1 min )

submitted by /u/mr_j_b [link] [comments]

submitted by /u/mr_j_b [link] [comments]

submitted by /u/mr_j_b [link] [comments]

submitted by /u/mr_j_b [link] [comments]  ( 1 min )

I feel like the application of technologies like DALL-E and Imagen would be perfect for everyday communication with friends and family, in the same way emojis and images and gifs enhance messaging today. Imagine an in-app messaging feature for iMessage or WhatsApp which allows you to type a prompt then scroll through various AI-generated images or gifs that fit the prompt to send to your friends and family rather than the emojis and gifs that most of us use now. Over recent years we have adapted to send emojis and images and gifs to express complex emotions and sentiments that would take lots of text to accomplish, but they’re still approximations because we are relying on an existing set of created images and videos. I imagine made-to-measure images and videos could be a type of casual communication in the future. submitted by /u/Psychadiculous [link] [comments]  ( 1 min )

While there are several benefits to using Artificial Intelligence, there are also drawbacks to this cutting-edge technology. One example is the creation of inappropriate language by language models. Because these models are trained on massive amounts of data, inappropriate language may be learned due to its presence in the training data. In only specific cases, content moderation techniques can be used to flag or filter such language however, the datasets used to train these programs frequently fail to capture the complexity of potentially unsuitable and poisonous language, particularly hate speech. Furthermore, the neutral samples in these datasets seldom contain group references. As a result, tools may flag even neutral language that refers to a minority identification group as hate speech. A dataset needs to be created for training content moderation algorithms that may be used to detect better implicitly harmful material, inspired by big language models’ capacity to emulate the tone, style, and vocabulary of cues they receive, whether toxic or benign. Continue Reading | Check out the paper, Microsoft blog and Github codes https://preview.redd.it/zkushg4jdu191.png?width=1302&format=png&auto=webp&s=29bbf108b18539083d478ea718078cf3502962b7 submitted by /u/No_Coffee_4638 [link] [comments]  ( 1 min )

submitted by /u/estasfuera [link] [comments]  ( 14 min )

submitted by /u/kuang89 [link] [comments]  ( 1 min )

submitted by /u/LordPewPew777 [link] [comments]

Please, does anyone have experience in using Gaussian processes to update q values instead of a deep learning network in an RL setting? I have separate codes for both but I need some help in merging them for a project. I will be happy to pay for the consultation if needed and feel free to give a referral if you know a friend or have access to some helpful resources. This RL is in an off-policy setting and for a static dataset. submitted by /u/Thin-Ad9581 [link] [comments]  ( 1 min )

Hey all I'm trying to play around with off-policy learning from pixels/images. To start easy, I thought it would be a good idea to take a classic control environment like the Pendulum-v1 and try to solve it from pixels directly. To do this, I decided to wrap the gym env in a custom wrapper which seems to be working for all intents and purposes: class ImgObservationWrapper(Wrapper): def __init__(self, env): super(ImgObservationWrapper, self).__init__(env) self.reset() dummy_obs = self.process_img(env.render(mode="rgb_array")) self.observation_space = spaces.Box( low=0, high=255, shape=dummy_obs.shape, dtype=dummy_obs.dtype ) def reset(self, **kwargs): obs = self.env.reset(**kwargs) obs = self.process_img(self.env.render(mode="rgb_array")) return obs def process_img(self, observation, crop…  ( 1 min )

Can somebody help me with MADDPG? I am trying to apply it to Food Collector (Unity ML-Agents), and my model is constantly converging to action extremes (either -1 or 1) after only couple of steps. There are 5 agents, 40x40x5 obs and 3 continuous actions and 1 discrete. Buffer size is 10k, agent is taking random actions for first 10k steps. https://preview.redd.it/9gon27amsu191.png?width=725&format=png&auto=webp&s=ebe9f3552b9e39b2f480cb01ad35cd6e3ae21092 These are actions of agent#1, so you can see example of model quickly converging to -1 or 1 (in this case -1, -1, 1) ​ submitted by /u/TheGuy839 [link] [comments]  ( 1 min )

submitted by /u/getrich_or_diemining [link] [comments]

How AI Impact the future of Human Capital Management in 2022  ( 5 min )

Can machines experience emotions? They might, according to Hume AI, an AI research lab and technology company that aims to “ensure artificial intelligence is built to serve human goals and emotional well-being.” So how can AI genuinely understand how we are feeling, and respond appropriately? On this episode of NVIDIA’s AI Podcast, host Noah Kravitz Read article > The post A Devotion to Emotion: Hume AI’s Alan Cowen on the Intersection of AI and Empathy appeared first on NVIDIA Blog.  ( 2 min )

It’s a beautiful day to play video games. And it’s GFN Thursday, which means we’ve got those games. Ten total titles join the GeForce NOW library of over 1,300 games, starting with the release of Roller Champions – a speedy, free-to-play roller skating title launching with competitive season 0. Rollin’ Into the Weekend Roll with Read article > The post Ready, Set, Game: GFN Thursday Brings 10 New Titles to GeForce NOW appeared first on NVIDIA Blog.  ( 2 min )

Recalling the French linguist who deciphered the Rosetta Stone 150 years ago, Hewlett Packard Enterprise today switched on a tool to unravel its customers’ knottiest problems. The Champollion AI supercomputer takes its name from Jean-François Champollion (1790-1832), who decoded hieroglyphics that opened a door to study of ancient Egypt’s culture. Like Champollion, the mega-system resides Read article > The post Deciphering the Future: HPE Switches on AI Supercomputer in France appeared first on NVIDIA Blog.  ( 3 min )

Today, Packaging is not just about covering a product for a better sale. Interactive packaging is a new trend in the packaging industry which mainly focuses on customer satisfaction and engagement. BLE codes, AI, and IoT are key technologies in interactive packaging which is helping users with the product attributes and user instructions. Also, Incorporation… Read More »Interactive Packaging: How to Make Packaging Smarter with AI and IoT The post Interactive Packaging: How to Make Packaging Smarter with AI and IoT appeared first on Data Science Central.  ( 2 min )

As you may know, everyone desires to look good or better than everyone else. To look pretty, cooler, smarter, and bold people go to the salons. Because a salon is a place that takes care of your outer beauty and makes you look prettier than before. They use different products on your body and which… Read More »How to Choose the Best Salon CRM Software The post How to Choose the Best Salon CRM Software appeared first on Data Science Central.  ( 5 min )

Ensembles improve prediction performance and allow uncertainty quantification by aggregating predictions from multiple models. In deep ensembling, the individual models are usually black box neural networks, or recently, partially interpretable semi-structured deep transformation models. However, interpretability of the ensemble members is generally lost upon aggregation. This is a crucial drawback of deep ensembles in high-stake decision fields, in which interpretable models are desired. We propose a novel transformation ensemble which aggregates probabilistic predictions with the guarantee to preserve interpretability and yield uniformly better predictions than the ensemble members on average. Transformation ensembles are tailored towards interpretable deep transformation models but are applicable to a wider range of probabilistic neural networks. In experiments on several publicly available data sets, we demonstrate that transformation ensembles perform on par with classical deep ensembles in terms of prediction performance, discrimination, and calibration. In addition, we demonstrate how transformation ensembles quantify both aleatoric and epistemic uncertainty, and produce minimax optimal predictions under certain conditions.  ( 2 min )

Many recent breakthroughs in multi-agent reinforcement learning (MARL) require the use of deep neural networks, which are challenging for human experts to interpret and understand. On the other hand, existing work on interpretable RL has shown promise in extracting more interpretable decision tree-based policies, but only in the single-agent setting. To fill this gap, we propose the first set of interpretable MARL algorithms that extract decision-tree policies from neural networks trained with MARL. The first algorithm, IVIPER, extends VIPER, a recent method for single-agent interpretable RL, to the multi-agent setting. We demonstrate that IVIPER can learn high-quality decision-tree policies for each agent. To better capture coordination between agents, we propose a novel centralized decision-tree training algorithm, MAVIPER. MAVIPER jointly grows the trees of each agent by predicting the behavior of the other agents using their anticipated trees, and uses resampling to focus on states that are critical for its interactions with other agents. We show that both algorithms generally outperform the baselines and that MAVIPER-trained agents achieve better-coordinated performance than IVIPER-trained agents on three different multi-agent particle-world environments.  ( 2 min )

Large pretrained language models have been performing increasingly well in a variety of downstream tasks via prompting. However, it remains unclear from where the model learns the task-specific knowledge, especially in a zero-shot setup. In this work, we want to find evidence of the model's task-specific competence from pretraining and are specifically interested in locating a very small subset of pretraining data that directly supports the model in the task. We call such a subset supporting data evidence and propose a novel method ORCA to effectively identify it, by iteratively using gradient information related to the downstream task. This supporting data evidence offers interesting insights about the prompted language models: in the tasks of sentiment analysis and textual entailment, BERT shows a substantial reliance on BookCorpus, the smaller corpus of BERT's two pretraining corpora, as well as on pretraining examples that mask out synonyms to the task verbalizers.  ( 2 min )

Metro origin-destination prediction is a crucial yet challenging time-series analysis task in intelligent transportation systems, which aims to accurately forecast two specific types of cross-station ridership, i.e., Origin-Destination (OD) one and Destination-Origin (DO) one. However, complete OD matrices of previous time intervals can not be obtained immediately in online metro systems, and conventional methods only used limited information to forecast the future OD and DO ridership separately. In this work, we proposed a novel neural network module termed Heterogeneous Information Aggregation Machine (HIAM), which fully exploits heterogeneous information of historical data (e.g., incomplete OD matrices, unfinished order vectors, and DO matrices) to jointly learn the evolutionary patterns of OD and DO ridership. Specifically, an OD modeling branch estimates the potential destinations of unfinished orders explicitly to complement the information of incomplete OD matrices, while a DO modeling branch takes DO matrices as input to capture the spatial-temporal distribution of DO ridership. Moreover, a Dual Information Transformer is introduced to propagate the mutual information among OD features and DO features for modeling the OD-DO causality and correlation. Based on the proposed HIAM, we develop a unified Seq2Seq network to forecast the future OD and DO ridership simultaneously. Extensive experiments conducted on two large-scale benchmarks demonstrate the effectiveness of our method for online metro origin-destination prediction. Our code is resealed at https://github.com/HCPLab-SYSU/HIAM.  ( 2 min )

State-of-the-art machine learning models can be vulnerable to very small input perturbations that are adversarially constructed. Adversarial training is one of the most effective approaches to defend against such examples. We show that for linear regression problems, adversarial training can be formulated as a convex problem. This fact is then used to show that $\ell_\infty$-adversarial training produces sparse solutions and has many similarities to the lasso method. Similarly, $\ell_2$-adversarial training has similarities with ridge regression. We use a robust regression framework to analyze and understand these similarities and also point to some differences. Finally, we show how adversarial training behaves differently from other regularization methods when estimating overparameterized models (i.e., models with more parameters than datapoints). It minimizes a sum of three terms which regularizes the solution, but unlike lasso and ridge regression, it can sharply transition into an interpolation mode. We show that for sufficiently many features or sufficiently small regularization parameters, the learned model perfectly interpolates the training data while still exhibiting good out-of-sample performance.  ( 2 min )

Federated learning has gained great attention recently as a privacy-enhancing tool to jointly train a machine learning model by multiple parties. As a sub-category, vertical federated learning (vFL) focuses on the scenario where features and labels are split into different parties. The prior work on vFL has mostly studied how to protect label privacy during model training. However, model evaluation in vFL might also lead to potential leakage of private label information. One mitigation strategy is to apply label differential privacy (DP) but it gives bad estimations of the true (non-private) metrics. In this work, we propose two evaluation algorithms that can more accurately compute the widely used AUC (area under curve) metric when using label DP in vFL. Through extensive experiments, we show our algorithms can achieve more accurate AUCs compared to the baselines.  ( 2 min )

Convolutional Neural Networks (CNNs) are known for requiring extensive computational resources, and quantization is among the best and most common methods for compressing them. While aggressive quantization (i.e., less than 4-bits) performs well for classification, it may cause severe performance degradation in image-to-image tasks such as semantic segmentation and depth estimation. In this paper, we propose Wavelet Compressed Convolution (WCC) -- a novel approach for high-resolution activation maps compression integrated with point-wise convolutions, which are the main computational cost of modern architectures. To this end, we use an efficient and hardware-friendly Haar-wavelet transform, known for its effectiveness in image compression, and define the convolution on the compressed activation map. We experiment on various tasks, that benefit from high-resolution input, and by combining WCC with light quantization, we achieve compression rates equivalent to 1-4bit activation quantization with relatively small and much more graceful degradation in performance.  ( 2 min )

Kernel matrix-vector multiplication (KMVM) is a foundational operation in machine learning and scientific computing. However, as KMVM tends to scale quadratically in both memory and time, applications are often limited by these computational constraints. In this paper, we propose a novel approximation procedure coined \textit{Faster-Fast and Free Memory Method} ($\text{F}^3$M) to address these scaling issues of KMVM for tall~($10^8\sim 10^9$) and skinny~($D\leq7$) data. Extensive experiments demonstrate that $\text{F}^3$M has empirical \emph{linear time and memory} complexity with a relative error of order $10^{-3}$ and can compute a full KMVM for a billion points \emph{in under a minute} on a high-end GPU, leading to a significant speed-up in comparison to existing CPU methods. We demonstrate the utility of our procedure by applying it as a drop-in for the state-of-the-art GPU-based linear solver FALKON, \emph{improving speed 1.5-5.5 times} at the cost of $<1\%$ drop in accuracy. We further demonstrate competitive results on \emph{Gaussian Process regression} coupled with significant speedups on a variety of real-world datasets.  ( 2 min )

Ultrasound (US) imaging is widely used for anatomical structure inspection in clinical diagnosis. The training of new sonographers and deep learning based algorithms for US image analysis usually requires a large amount of data. However, obtaining and labeling large-scale US imaging data are not easy tasks, especially for diseases with low incidence. Realistic US image synthesis can alleviate this problem to a great extent. In this paper, we propose a generative adversarial network (GAN) based image synthesis framework. Our main contributions include: 1) we present the first work that can synthesize realistic B-mode US images with high-resolution and customized texture editing features; 2) to enhance structural details of generated images, we propose to introduce auxiliary sketch guidance into a conditional GAN. We superpose the edge sketch onto the object mask and use the composite mask as the network input; 3) to generate high-resolution US images, we adopt a progressive training strategy to gradually generate high-resolution images from low-resolution images. In addition, a feature loss is proposed to minimize the difference of high-level features between the generated and real images, which further improves the quality of generated images; 4) the proposed US image synthesis method is quite universal and can also be generalized to the US images of other anatomical structures besides the three ones tested in our study (lung, hip joint, and ovary); 5) extensive experiments on three large US image datasets are conducted to validate our method. Ablation studies, customized texture editing, user studies, and segmentation tests demonstrate promising results of our method in synthesizing realistic US images.  ( 3 min )

Trust evaluation is critical for many applications such as cyber security, social communication and recommender systems. Users and trust relationships among them can be seen as a graph. Graph neural networks (GNNs) show their powerful ability for analyzing graph-structural data. Very recently, existing work attempted to introduce the attributes and asymmetry of edges into GNNs for trust evaluation, while failed to capture some essential properties (e.g., the propagative and composable nature) of trust graphs. In this work, we propose a new GNN based trust evaluation method named TrustGNN, which integrates smartly the propagative and composable nature of trust graphs into a GNN framework for better trust evaluation. Specifically, TrustGNN designs specific propagative patterns for different propagative processes of trust, and distinguishes the contribution of different propagative processes to create new trust. Thus, TrustGNN can learn comprehensive node embeddings and predict trust relationships based on these embeddings. Experiments on some widely-used real-world datasets indicate that TrustGNN significantly outperforms the state-of-the-art methods. We further perform analytical experiments to demonstrate the effectiveness of the key designs in TrustGNN.  ( 2 min )

Missing data is a systemic problem in practical scenarios that causes noise and bias when estimating treatment effects. This makes treatment effect estimation from data with missingness a particularly tricky endeavour. A key reason for this is that standard assumptions on missingness are rendered insufficient due to the presence of an additional variable, treatment, besides the individual and the outcome. Having a treatment variable introduces additional complexity with respect to why some variables are missing that is not fully explored by previous work. In our work we identify a new missingness mechanism, which we term mixed confounded missingness (MCM), where some missingness determines treatment selection and other missingness is determined by treatment selection. Given MCM, we show that naively imputing all data leads to poor performing treatment effects models, as the act of imputation effectively removes information necessary to provide unbiased estimates. However, no imputation at all also leads to biased estimates, as missingness determined by treatment divides the population in distinct subpopulations, where estimates across these populations will be biased. Our solution is selective imputation, where we use insights from MCM to inform precisely which variables should be imputed and which should not. We empirically demonstrate how various learners benefit from selective imputation compared to other solutions for missing data.  ( 2 min )

Few-shot relation classification (RC) is one of the critical problems in machine learning. Current research merely focuses on the set-ups that both training and testing are from the same domain. However, in practice, this assumption is not always guaranteed. In this study, we present a novel model that takes into consideration the afore-mentioned cross-domain situation. Not like previous models, we only use the source domain data to train the prototypical networks and test the model on target domain data. A meta-based adversarial training framework (MBATF) is proposed to fine-tune the trained networks for adapting to data from the target domain. Empirical studies confirm the effectiveness of the proposed model.  ( 2 min )

In this work we rigorously analyse assumptions inherent to black-box optimisation hyper-parameter tuning tasks. Our results on the Bayesmark benchmark indicate that heteroscedasticity and non-stationarity pose significant challenges for black-box optimisers. Based on these findings, we propose a Heteroscedastic and Evolutionary Bayesian Optimisation solver (HEBO). HEBO performs non-linear input and output warping, admits exact marginal log-likelihood optimisation and is robust to the values of learned parameters. We demonstrate HEBO's empirical efficacy on the NeurIPS 2020 Black-Box Optimisation challenge, where HEBO placed first. Upon further analysis, we observe that HEBO significantly outperforms existing black-box optimisers on 108 machine learning hyperparameter tuning tasks comprising the Bayesmark benchmark. Our findings indicate that the majority of hyper-parameter tuning tasks exhibit heteroscedasticity and non-stationarity, multi-objective acquisition ensembles with Pareto front solutions improve queried configurations, and robust acquisition maximisers afford empirical advantages relative to their non-robust counterparts. We hope these findings may serve as guiding principles for practitioners of Bayesian optimisation. All code is made available at https://github.com/huawei-noah/HEBO.  ( 2 min )

Training even moderately-sized generative models with differentially-private stochastic gradient descent (DP-SGD) is difficult: the required level of noise for reasonable levels of privacy is simply too large. We advocate instead building off a good, relevant representation on public data, then using private data only for "transfer learning." In particular, we minimize the maximum mean discrepancy (MMD) between private target data and the generated distribution, using a kernel based on perceptual features from a public dataset. With the MMD, we can simply privatize the data-dependent term once and for all, rather than introducing noise at each step of optimization as in DP-SGD. Our algorithm allows us to generate CIFAR10-level images faithfully with $\varepsilon \approx 2$, far surpassing the current state of the art, which only models MNIST and FashionMNIST at $\varepsilon \approx 10$. Our work introduces simple yet powerful foundations for reducing the gap between private and non-private deep generative models.  ( 2 min )

Modern neuroimaging techniques, such as diffusion tensor imaging (DTI) and functional magnetic resonance imaging (fMRI), enable us to model the human brain as a brain network or connectome. Capturing brain networks' structural information and hierarchical patterns is essential for understanding brain functions and disease states. Recently, the promising network representation learning capability of graph neural networks (GNNs) has prompted many GNN-based methods for brain network analysis to be proposed. Specifically, these methods apply feature aggregation and global pooling to convert brain network instances into meaningful low-dimensional representations used for downstream brain network analysis tasks. However, existing GNN-based methods often neglect that brain networks of different subjects may require various aggregation iterations and use GNN with a fixed number of layers to learn all brain networks. Therefore, how to fully release the potential of GNNs to promote brain network analysis is still non-trivial. To solve this problem, we propose a novel brain network representation framework, namely BN-GNN, which searches for the optimal GNN architecture for each brain network. Concretely, BN-GNN employs deep reinforcement learning (DRL) to train a meta-policy to automatically determine the optimal number of feature aggregations (reflected in the number of GNN layers) required for a given brain network. Extensive experiments on eight real-world brain network datasets demonstrate that our proposed BN-GNN improves the performance of traditional GNNs on different brain network analysis tasks.  ( 2 min )

Logistics optimization nowadays is becoming one of the hottest areas in the AI community. In the past year, significant advancements in the domain were achieved by representing the problem in a form of graph. Another promising area of research was to apply reinforcement learning algorithms to the above task. In our work, we made advantage of using both approaches and apply reinforcement learning on a graph. To do that, we have analyzed the most recent results in both fields and selected SOTA algorithms both from graph neural networks and reinforcement learning. Then, we combined selected models on the problem of AMOD systems optimization for the transportation network of New York city. Our team compared three algorithms - GAT, Pro-CNN and PTDNet - to bring to the fore the important nodes on a graph representation. Finally, we achieved SOTA results on AMOD systems optimization problem employing PTDNet with GNN and training them in reinforcement fashion. Keywords: Graph Neural Network (GNN), Logistics optimization, Reinforcement Learning  ( 2 min )

Many complex Deep Learning models are used with different variations for various prognostication tasks. The higher learning parameters not necessarily ensure great accuracy. This can be solved by considering changes in very deep models with many regularization based techniques. In this paper we train a deep neural network that uses many regularization layers with residual and concatenation process for best fit with Polycystic Ovary Syndrome Diagnosis prognostication. The network was built with improvements from every step of failure to meet the needs of the data and achieves an accuracy of 99.3% seamlessly.  ( 2 min )

Gaussian Processes (GPs) have proven themselves as a reliable and effective method in probabilistic Machine Learning. Thanks to recent and current advances, modeling complex data with GPs is becoming more and more feasible. Thus, these types of models are, nowadays, an interesting alternative to Neural and Deep Learning methods, which are arguably the current state-of-the-art in Machine Learning. For the latter, we see an increasing interest in so-called explainable approaches - in essence methods that aim to make a Machine Learning model's decision process transparent to humans. Such methods are particularly needed when illogical or biased reasoning can lead to actual disadvantageous consequences for humans. Ideally, explainable Machine Learning should help detect such flaws in a model and aid a subsequent debugging process. One active line of research in Machine Learning explainability are gradient-based methods, which have been successfully applied to complex neural networks. Given that GPs are closed under differentiation, gradient-based explainability for GPs appears as a promising field of research. This paper is primarily focused on explaining GP classifiers via gradients where, contrary to GP regression, derivative GPs are not straightforward to obtain.  ( 2 min )

Deep neural networks have become popular in many supervised learning tasks, but they may suffer from overfitting when the training dataset is limited. To mitigate this, many researchers use data augmentation, which is a widely used and effective method for increasing the variety of datasets. However, the randomness introduced by data augmentation causes inevitable inconsistency between training and inference, which leads to poor improvement. In this paper, we propose a consistency regularization framework based on data augmentation, called CR-Aug, which forces the output distributions of different sub models generated by data augmentation to be consistent with each other. Specifically, CR-Aug evaluates the discrepancy between the output distributions of two augmented versions of each sample, and it utilizes a stop-gradient operation to minimize the consistency loss. We implement CR-Aug to image and audio classification tasks and conduct extensive experiments to verify its effectiveness in improving the generalization ability of classifiers. Our CR-Aug framework is ready-to-use, it can be easily adapted to many state-of-the-art network architectures. Our empirical results show that CR-Aug outperforms baseline methods by a significant margin.  ( 2 min )

Recent work by Jacot et al. (2018) has shown that training a neural network using gradient descent in parameter space is related to kernel gradient descent in function space with respect to the Neural Tangent Kernel (NTK). Lee et al. (2019) built on this result by establishing that the output of a neural network trained using gradient descent can be approximated by a linear model when the network width is large. Indeed, under regularity conditions, the NTK converges to a time-independent kernel in the infinite-width limit. This regime is often called the NTK regime. In parallel, recent works on signal propagation (Poole et al., 2016; Schoenholz et al., 2017; Hayou et al., 2019a) studied the impact of the initialization and the activation function on signal propagation in deep neural networks. In this paper, we connect these two theories by quantifying the impact of the initialization and the activation function on the NTK when the network depth becomes large. In particular, we provide a comprehensive analysis of the convergence rates of the NTK regime to the infinite depth regime.  ( 2 min )

Pseudo labeling and consistency regularization approaches based on confidence thresholding have made great progress in semi-supervised learning (SSL). However, we argue that existing methods might fail to adopt suitable thresholds since they either use a pre-defined / fixed threshold or an ad-hoc threshold adjusting scheme, resulting in inferior performance and slow convergence. We first analyze a motivating example to achieve some intuitions on the relationship between the desirable threshold and model's learning status. Based on the analysis, we hence propose FreeMatch to define and adjust the confidence threshold in a self-adaptive manner according to the model's learning status. We further introduce a self-adaptive class fairness regularization penalty that encourages the model to produce diverse predictions during the early stages of training. Extensive experimental results indicate the superiority of FreeMatch especially when the labeled data are extremely rare. FreeMatch achieves 5.78%, 13.59%, and 1.28% error rate reduction over the latest state-of-the-art method FlexMatch on CIFAR-10 with 1 label per class, STL-10 with 4 labels per class, and ImageNet with 100 labels per class, respectively.

A soft tree is an actively studied variant of a decision tree that updates splitting rules using the gradient method. Although it can have various tree architectures, the theoretical properties of their impact are not well known. In this paper, we formulate and analyze the Neural Tangent Kernel (NTK) induced by soft tree ensembles for arbitrary tree architectures. This kernel leads to the remarkable finding that only the number of leaves at each depth is relevant for the tree architecture in ensemble learning with infinitely many trees. In other words, if the number of leaves at each depth is fixed, the training behavior in function space and the generalization performance are exactly the same across different tree architectures, even if they are not isomorphic. We also show that the NTK of asymmetric trees like decision lists does not degenerate when they get infinitely deep. This is in contrast to the perfect binary trees, whose NTK is known to degenerate and leads to worse generalization performance for deeper trees.

Learning causal structure poses a combinatorial search problem that typically involves evaluating structures using a score or independence test. The resulting search is costly, and designing suitable scores or tests that capture prior knowledge is difficult. In this work, we propose to amortize the process of causal structure learning. Rather than searching over causal structures directly, we train a variational inference model to predict the causal structure from observational/interventional data. Our inference model acquires domain-specific inductive bias for causal discovery solely from data generated by a simulator. This allows us to bypass both the search over graphs and the hand-engineering of suitable score functions. Moreover, the architecture of our inference model is permutation invariant w.r.t. the data points and permutation equivariant w.r.t. the variables, facilitating generalization to significantly larger problem instances than seen during training. On synthetic data and semi-synthetic gene expression data, our models exhibit robust generalization capabilities under substantial distribution shift and significantly outperform existing algorithms, especially in the challenging genomics domain.

A major challenge in reinforcement learning is specifying tasks in a manner that is both interpretable and verifiable. One common approach is to specify tasks through reward machines -- finite state machines that encode the task to be solved. We introduce skill machines, a representation that can be learned directly from these reward machines that encode the solution to such tasks. We propose a framework where an agent first learns a set of base skills in a reward-free setting, and then combines these skills with the learned skill machine to produce composite behaviours specified by any regular language, such as linear temporal logics. This provides the agent with the ability to map from complex logical task specifications to near-optimal behaviours zero-shot. We demonstrate our approach in both a tabular and high-dimensional video game environment, where an agent is faced with several of these complex, long-horizon tasks. Our results indicate that the agent is capable of satisfying extremely complex task specifications, producing near optimal performance with no further learning. Finally, we demonstrate that the performance of skill machines can be improved with regular offline reinforcement learning algorithms when optimal behaviours are desired.

Deep neural networks are often overparameterized and may not easily achieve model generalization. Adversarial training has shown effectiveness in improving generalization by regularizing the change of loss on top of adversarially chosen perturbations. The recently proposed sharpness-aware minimization (SAM) algorithm conducts adversarial weight perturbation, encouraging the model to converge to a flat minima. SAM finds a common adversarial weight perturbation per-batch. Although per-instance adversarial weight perturbations are stronger adversaries and they can potentially lead to better generalization performance, their computational cost is very high and thus it is impossible to use per-instance perturbations efficiently in SAM. In this paper, we tackle this efficiency bottleneck and propose sharpness-aware minimization with dynamic reweighting ({\delta}-SAM). Our theoretical analysis motivates that it is possible to approach the stronger, per-instance adversarial weight perturbations using reweighted per-batch weight perturbations. {\delta}-SAM dynamically reweights perturbation within each batch according to the theoretically principled weighting factors, serving as a good approximation to per-instance perturbation. Experiments on various natural language understanding tasks demonstrate the effectiveness of {\delta}-SAM.

Despite recent explosion in research interests, in-context learning and the precise impact of the quality of demonstrations remain elusive. While, based on current literature, it is expected that in-context learning shares a similar mechanism to supervised learning, Min et al. (2022) recently reported that, surprisingly, input-label correspondence is less important than other aspects of prompt demonstrations. Inspired by this counter-intuitive observation, we re-examine the importance of ground truth labels on in-context learning from diverse and statistical points of view. With the aid of the newly introduced metrics, i.e., Ground-truth Label Effect Ratio (GLER), demo-gain, and label sensitivity, we find that the impact of the correct input-label matching can vary according to different configurations. Expanding upon the previous key finding on the role of demonstrations, the complementary and contrastive results suggest that one might need to take more care when estimating the impact of each component in in-context learning demonstrations.

Many physical processes such as weather phenomena or fluid mechanics are governed by partial differential equations (PDEs). Modelling such dynamical systems using Neural Networks is an active research field. However, current methods are still very limited, as they do not exploit the knowledge about the dynamical nature of the system, require extensive prior knowledge about the governing equations or are limited to linear or first-order equations. In this work we make the observation that the Method of Lines used to solve PDEs can be represented using convolutions which makes convolutional neural networks (CNNs) the natural choice to parametrize arbitrary PDE dynamics. We combine this parametrization with differentiable ODE solvers to form the NeuralPDE Model, which explicitly takes into account the fact that the data is governed by differential equations. We show in several experiments on toy and real-world data that our model consistently outperforms state-of-the-art models used to learn dynamical systems.

Autoformalization is the process of automatically translating from natural language mathematics to formal specifications and proofs. A successful autoformalization system could advance the fields of formal verification, program synthesis, and artificial intelligence. While the long-term goal of autoformalization seemed elusive for a long time, we show large language models provide new prospects towards this goal. We make the surprising observation that LLMs can correctly translate a significant portion ($25.3\%$) of mathematical competition problems perfectly to formal specifications in Isabelle/HOL. We demonstrate the usefulness of this process by improving a previously introduced neural theorem prover via training on these autoformalized theorems. Our methodology results in a new state-of-the-art result on the MiniF2F theorem proving benchmark, improving the proof rate from $29.6\%$ to $35.2\%$.

Recent work suggests that transformer models are capable of multi-task learning on diverse NLP tasks. However, the potential of these models may be limited as they use the same set of parameters for all tasks. In contrast, humans tackle tasks in a more flexible way, by making proper presumptions on what skills and knowledge are relevant and executing only the necessary computations. Inspired by this, we propose to use task-level mixture-of-expert models, which has a collection of transformer layers (i.e., experts) and a router component to choose among these experts dynamically and flexibly. We show that the learned routing decisions and experts partially rediscover human categorization of NLP tasks -- certain experts are strongly associated with extractive tasks, some with classification tasks, and some with tasks requiring world knowledge.

Most uses of machine learning today involve training a model from scratch for a particular task, or sometimes starting with a model pretrained on a related task and then fine-tuning on a downstream task. Both approaches offer limited knowledge transfer between different tasks, time-consuming human-driven customization to individual tasks and high computational costs especially when starting from randomly initialized models. We propose a method that uses the layers of a pretrained deep neural network as building blocks to construct an ML system that can jointly solve an arbitrary number of tasks. The resulting system can leverage cross tasks knowledge transfer, while being immune from common drawbacks of multitask approaches such as catastrophic forgetting, gradients interference and negative transfer. We define an evolutionary approach designed to jointly select the prior knowledge relevant for each task, choose the subset of the model parameters to train and dynamically auto-tune its hyperparameters. Furthermore, a novel scale control method is employed to achieve quality/size trade-offs that outperform common fine-tuning techniques. Compared with standard fine-tuning on a benchmark of 10 diverse image classification tasks, the proposed model improves the average accuracy by 2.39% while using 47% less parameters per task.

Inferring the abstract relational and causal structure of the world is a major challenge for reinforcement-learning (RL) agents. For humans, language--particularly in the form of explanations--plays a considerable role in overcoming this challenge. Here, we show that language can play a similar role for deep RL agents in complex environments. While agents typically struggle to acquire relational and causal knowledge, augmenting their experience by training them to predict language descriptions and explanations can overcome these limitations. We show that language can help agents learn challenging relational tasks, and examine which aspects of language contribute to its benefits. We then show that explanations can help agents to infer not only relational but also causal structure. Language can shape the way that agents to generalize out-of-distribution from ambiguous, causally-confounded training, and explanations even allow agents to learn to perform experimental interventions to identify causal relationships. Our results suggest that language description and explanation may be powerful tools for improving agent learning and generalization.

Bayesian workflows often require the introduction of nuisance parameters, yet for core science modelling one needs access to a marginal posterior density. In this work we use masked autoregressive flows and kernel density estimators to encapsulate the marginal posterior, allowing us to compute marginal Kullback-Leibler divergences and marginal Bayesian model dimensionalities in addition to generating samples and computing marginal log probabilities. We demonstrate this in application to topical cosmological examples of the Dark Energy Survey, and global 21cm signal experiments. In addition to the computation of marginal Bayesian statistics, this work is important for further applications in Bayesian experimental design, complex prior modelling and likelihood emulation. This technique is made publicly available in the pip-installable code margarine.

We propose a recipe on how to build a general, powerful, scalable (GPS) graph Transformer with linear complexity and state-of-the-art results on a diverse set of benchmarks. Graph Transformers (GTs) have gained popularity in the field of graph representation learning with a variety of recent publications but they lack a common foundation about what constitutes a good positional or structural encoding, and what differentiates them. In this paper, we summarize the different types of encodings with a clearer definition and categorize them as being $\textit{local}$, $\textit{global}$ or $\textit{relative}$. Further, GTs remain constrained to small graphs with few hundred nodes, and we propose the first architecture with a complexity linear to the number of nodes and edges $O(N+E)$ by decoupling the local real-edge aggregation from the fully-connected Transformer. We argue that this decoupling does not negatively affect the expressivity, with our architecture being a universal function approximator for graphs. Our GPS recipe consists of choosing 3 main ingredients: (i) positional/structural encoding, (ii) local message-passing mechanism, and (iii) global attention mechanism. We build and open-source a modular framework $\textit{GraphGPS}$ that supports multiple types of encodings and that provides efficiency and scalability both in small and large graphs. We test our architecture on 11 benchmarks and show very competitive results on all of them, show-casing the empirical benefits gained by the modularity and the combination of different strategies.

In language processing, training data with extremely large variance may lead to difficulty in the language model's convergence. It is difficult for the network parameters to adapt sentences with largely varied semantics or grammatical structures. To resolve this problem, we introduce a model that concentrates the each of the heterogeneous features in the input sentences. Building upon the encoder-decoder architecture, we design a latent-enhanced multi-filter seq2seq model (LEMS) that analyzes the input representations by introducing a latent space transformation and clustering. The representations are extracted from the final hidden state of the encoder and lie in the latent space. A latent space transformation is applied for enhancing the quality of the representations. Thus the clustering algorithm can easily separate samples based on the features of these representations. Multiple filters are trained by the features from their corresponding clusters, and the heterogeneity of the training data can be resolved accordingly. We conduct two sets of comparative experiments on semantic parsing and machine translation, using the Geo-query dataset and Multi30k English-French to demonstrate the enhancement our model has made respectively.

Transformers have been shown to be able to perform deductive reasoning on a logical rulebase containing rules and statements written in English natural language. While the progress is promising, it is currently unclear if these models indeed perform logical reasoning by understanding the underlying logical semantics in the language. To this end, we propose RobustLR, a suite of evaluation datasets that evaluate the robustness of these models to minimal logical edits in rulebases and some standard logical equivalence conditions. In our experiments with RoBERTa and T5, we find that the models trained in prior works do not perform consistently on the different perturbations in RobustLR, thus showing that the models are not robust to the proposed logical perturbations. Further, we find that the models find it especially hard to learn logical negation and disjunction operators. Overall, using our evaluation sets, we demonstrate some shortcomings of the deductive reasoning-based language models, which can eventually help towards designing better models for logical reasoning over natural language.

In this paper, we propose a Boosting Tail Neural Network (BTNN) for improving the performance of Realtime Custom Keyword Spotting (RCKS) that is still an industrial challenge for demanding powerful classification ability with limited computation resources. Inspired by Brain Science that a brain is only partly activated for a nerve simulation and numerous machine learning algorithms are developed to use a batch of weak classifiers to resolve arduous problems, which are often proved to be effective. We show that this method is helpful to the RCKS problem. The proposed approach achieve better performances in terms of wakeup rate and false alarm. In our experiments compared with those traditional algorithms that use only one strong classifier, it gets 18\% relative improvement. We also point out that this approach may be promising in future ASR exploration.

Non-cooperative and cooperative games with a very large number of players have many applications but remain generally intractable when the number of players increases. Introduced by Lasry and Lions, and Huang, Caines and Malham\'e, Mean Field Games (MFGs) rely on a mean-field approximation to allow the number of players to grow to infinity. Traditional methods for solving these games generally rely on solving partial or stochastic differential equations with a full knowledge of the model. Recently, Reinforcement Learning (RL) has appeared promising to solve complex problems. By combining MFGs and RL, we hope to solve games at a very large scale both in terms of population size and environment complexity. In this survey, we review the quickly growing recent literature on RL methods to learn Nash equilibria in MFGs. We first identify the most common settings (static, stationary, and evolutive). We then present a general framework for classical iterative methods (based on best-response computation or policy evaluation) to solve MFGs in an exact way. Building on these algorithms and the connection with Markov Decision Processes, we explain how RL can be used to learn MFG solutions in a model-free way. Last, we present numerical illustrations on a benchmark problem, and conclude with some perspectives.

Warfarin is a widely used anticoagulant, and has a narrow therapeutic range. Dosing of warfarin should be individualized, since slight overdosing or underdosing can have catastrophic or even fatal consequences. Despite much research on warfarin dosing, current dosing protocols do not live up to expectations, especially for patients sensitive to warfarin. We propose a deep reinforcement learning-based dosing model for warfarin. To overcome the issue of relatively small sample sizes in dosing trials, we use a Pharmacokinetic/ Pharmacodynamic (PK/PD) model of warfarin to simulate dose-responses of virtual patients. Applying the proposed algorithm on virtual test patients shows that this model outperforms a set of clinically accepted dosing protocols by a wide margin. We tested the robustness of our dosing protocol on a second PK/PD model and showed that its performance is comparable to the set of baseline protocols.

Programmatic Weak Supervision (PWS) aggregates the source votes of multiple weak supervision sources into probabilistic training labels, which are in turn used to train an end model. With its increasing popularity, it is critical to have some tool for users to understand the influence of each component (e.g., the source vote or training data) in the pipeline and interpret the end model behavior. To achieve this, we build on Influence Function (IF) and propose source-aware IF, which leverages the generation process of the probabilistic labels to decompose the end model's training objective and then calculate the influence associated with each (data, source, class) tuple. These primitive influence score can then be used to estimate the influence of individual component of PWS, such as source vote, supervision source, and training data. On datasets of diverse domains, we demonstrate multiple use cases: (1) interpreting incorrect predictions from multiple angles that reveals insights for debugging the PWS pipeline, (2) identifying mislabeling of sources with a gain of 9%-37% over baselines, and (3) improving the end model's generalization performance by removing harmful components in the training objective (13%-24% better than ordinary IF).

We study how well generative adversarial networks (GAN) learn probability distributions from finite samples by analyzing the convergence rates of these models. Our analysis is based on a new oracle inequality that decomposes the estimation error of GAN into the discriminator and generator approximation errors, generalization error and optimization error. To estimate the discriminator approximation error, we establish error bounds on approximating H\"older functions by ReLU neural networks, with explicit upper bounds on the Lipschitz constant of the network or norm constraint on the weights. For generator approximation error, we show that neural network can approximately transform a low-dimensional source distribution to a high-dimensional target distribution and bound such approximation error by the width and depth of neural network. Combining the approximation results with generalization bounds of neural networks from statistical learning theory, we establish the convergence rates of GANs in various settings, when the error is measured by a collection of integral probability metrics defined through H\"older classes, including the Wasserstein distance as a special case. In particular, for distributions concentrated around a low-dimensional set, we show that the convergence rates of GANs do not depend on the high ambient dimension, but on the lower intrinsic dimension.

Recently, $k$NN-MT has shown the promising capability of directly incorporating the pre-trained neural machine translation (NMT) model with domain-specific token-level $k$-nearest-neighbor ($k$NN) retrieval to achieve domain adaptation without retraining. Despite being conceptually attractive, it heavily relies on high-quality in-domain parallel corpora, limiting its capability on unsupervised domain adaptation, where in-domain parallel corpora are scarce or nonexistent. In this paper, we propose a novel framework that directly uses in-domain monolingual sentences in the target language to construct an effective datastore for $k$-nearest-neighbor retrieval. To this end, we first introduce an autoencoder task based on the target language, and then insert lightweight adapters into the original NMT model to map the token-level representation of this task to the ideal representation of translation task. Experiments on multi-domain datasets demonstrate that our proposed approach significantly improves the translation accuracy with target-side monolingual data, while achieving comparable performance with back-translation.

Noisy labels are inevitable yet problematic in machine learning society. It ruins the generalization power of a classifier by making the classifier be trained to be overfitted to wrong labels. Existing methods on noisy label have focused on modifying classifier training procedure. It results in two possible problems. First, these methods are not applicable to a pre-trained classifier without further access into training. Second, it is not easy to train a classifier and remove all of negative effects from noisy labels simultaneously. From these problems, we suggests a new branch of approach, Noisy Prediction Calibration (NPC) in learning with noisy labels. Through the introduction and estimation of a new type of transition matrix via generative model, NPC corrects the noisy prediction from the pre-trained classifier to the true label as a post-processing scheme. We prove that NPC theoretically aligns with the transition matrix based methods. Yet, NPC provides more accurate pathway to estimate true label, even without involvement in classifier learning. Also, NPC is applicable to any classifier trained with noisy label methods, if training instances and its predictions are available. Our method, NPC, boosts the classification performances of all baseline models on both synthetic and real-world datasets.

Deep learning models have achieved great success in many fields, yet they are vulnerable to adversarial examples. This paper follows a causal perspective to look into the adversarial vulnerability and proposes Causal Intervention by Semantic Smoothing (CISS), a novel framework towards robustness against natural language attacks. Instead of merely fitting observational data, CISS learns causal effects p(y|do(x)) by smoothing in the latent semantic space to make robust predictions, which scales to deep architectures and avoids tedious construction of noise customized for specific attacks. CISS is provably robust against word substitution attacks, as well as empirically robust even when perturbations are strengthened by unknown attack algorithms. For example, on YELP, CISS surpasses the runner-up by 6.7% in terms of certified robustness against word substitutions, and achieves 79.4% empirical robustness when syntactic attacks are integrated.

Driven by the empirical success and wide use of deep neural networks, understanding the generalization performance of overparameterized models has become an increasingly popular question. To this end, there has been substantial effort to characterize the implicit bias of the optimization algorithms used, such as gradient descent (GD), and the structural properties of their preferred solutions. This paper answers an open question in this literature: For the classification setting, what solution does mirror descent (MD) converge to? Specifically, motivated by its efficient implementation, we consider the family of mirror descent algorithms with potential function chosen as the $p$-th power of the $\ell_p$-norm, which is an important generalization of GD. We call this algorithm $p$-$\textsf{GD}$. For this family, we characterize the solutions it obtains and show that it converges in direction to a generalized maximum-margin solution with respect to the $\ell_p$-norm for linearly separable classification. While the MD update rule is in general expensive to compute and perhaps not suitable for deep learning, $p$-$\textsf{GD}$ is fully parallelizable in the same manner as SGD and can be used to train deep neural networks with virtually no additional computational overhead. Using comprehensive experiments with both linear and deep neural network models, we demonstrate that $p$-$\textsf{GD}$ can noticeably affect the structure and the generalization performance of the learned models.

Graphs are ubiquitous in nature and can therefore serve as models for many practical but also theoretical problems. Based on this, the young research field of Graph Neural Networks (GNNs) has emerged. Despite the youth of the field and the speed in which new models are developed, many good surveys have been published in the last years. Nevertheless, an overview on which graph types can be modeled by GNNs is missing. In this survey, we give a detailed overview of already existing GNNs and, unlike previous surveys, categorize them according to their ability to handle different graph types and properties. We consider GNNs operating on static as well as on dynamic graphs of different structural constitutions, with or without node or edge attributes. Moreover in the dynamic case, we separate the models in discrete-time and continuous-time dynamic graphs based on their architecture. While ordering the existing GNN models, we find, that there are still graph types, that are not or only rarely covered by existing GNN models. We point out where models are missing and give potential reasons for their absence.

Glaucoma is one of the most severe eye diseases, characterized by rapid progression and leading to irreversible blindness. It is often the case that pathology diagnostics is carried out when the one's sight has already significantly degraded due to the lack of noticeable symptoms at early stage of the disease. Regular glaucoma screenings of the population shall improve early-stage detection, however the desirable frequency of etymological checkups is often not feasible due to excessive load imposed by manual diagnostics on limited number of specialists. Considering the basic methodology to detect glaucoma is to analyze fundus images for the \textit{optic-disc-to-optic-cup ratio}, Machine Learning domain can offer sophisticated tooling for image processing and classification. In our work, we propose an advanced image pre-processing technique combined with an ensemble of deep classification networks. Our \textit{Retinal Auto Detection (RADNet)} model has been successfully tested on Rotterdam EyePACS AIROGS train dataset with AUC of 0.92, and then additionally finetuned and tested on a fraction of RIM-ONE DL dataset with AUC of 0.91.

Internet-of-Things (IoT) networks intelligently connect thousands of physical entities to provide various services for the community. It is witnessing an exponential expansion, which is complicating the process of discovering IoT devices existing in the network and requesting corresponding services from them. As the highly dynamic nature of the IoT environment hinders the use of traditional solutions of service discovery, we aim, in this paper, to address this issue by proposing a scalable resource allocation neural model adequate for heterogeneous large-scale IoT networks. We devise a Graph Neural Network (GNN) approach that utilizes the social relationships formed between the devices in the IoT network to reduce the search space of any entity lookup and acquire a service from another device in the network. This proposed resource allocation approach surpasses standardization issues and embeds the structure and characteristics of the social IoT graph, by the means of GNNs, for eventual clustering analysis process. Simulation results applied on a real-world dataset illustrate the performance of this solution and its significant efficiency to operate on large-scale IoT networks.

Recent advances in the areas of multimodal machine learning and artificial intelligence (AI) have led to the development of challenging tasks at the intersection of Computer Vision, Natural Language Processing, and Embodied AI. Whereas many approaches and previous survey pursuits have characterised one or two of these dimensions, there has not been a holistic analysis at the center of all three. Moreover, even when combinations of these topics are considered, more focus is placed on describing, e.g., current architectural methods, as opposed to also illustrating high-level challenges and opportunities for the field. In this survey paper, we discuss Embodied Vision-Language Planning (EVLP) tasks, a family of prominent embodied navigation and manipulation problems that jointly use computer vision and natural language. We propose a taxonomy to unify these tasks and provide an in-depth analysis and comparison of the new and current algorithmic approaches, metrics, simulated environments, as well as the datasets used for EVLP tasks. Finally, we present the core challenges that we believe new EVLP works should seek to address, and we advocate for task construction that enables model generalizability and furthers real-world deployment.

In this paper, we study the problem of bandits with knapsacks (BwK) in a non-stationary environment. The BwK problem generalizes the multi-arm bandit (MAB) problem to model the resource consumption associated with playing each arm. At each time, the decision maker/player chooses to play an arm, and s/he will receive a reward and consume certain amount of resource from each of the multiple resource types. The objective is to maximize the cumulative reward over a finite horizon subject to some knapsack constraints on the resources. Existing works study the BwK problem under either a stochastic or adversarial environment. Our paper considers a non-stationary environment which continuously interpolates between these two extremes. We first show that the traditional notion of variation budget is insufficient to characterize the non-stationarity of the BwK problem for a sublinear regret due to the presence of the constraints, and then we propose a new notion of global non-stationarity measure. We employ both non-stationarity measures to derive upper and lower bounds for the problem. Our results are based on a primal-dual analysis of the underlying linear programs and highlight the interplay between the constraints and the non-stationarity. Finally, we also extend the non-stationarity measure to the problem of online convex optimization with constraints and obtain new regret bounds accordingly.

The vanishing ideal of a set of points $X\subseteq \mathbb{R}^n$ is the set of polynomials that evaluate to $0$ over all points $\mathbf{x} \in X$ and admits an efficient representation by a finite set of polynomials called generators. To accommodate the noise in the data set, we introduce the Conditional Gradients Approximately Vanishing Ideal algorithm (CGAVI) for the construction of the set of generators of the approximately vanishing ideal. The constructed set of generators captures polynomial structures in data and gives rise to a feature map that can, for example, be used in combination with a linear classifier for supervised learning. In CGAVI, we construct the set of generators by solving specific instances of (constrained) convex optimization problems with the Pairwise Frank-Wolfe algorithm (PFW). Among other things, the constructed generators inherit the LASSO generalization bound and not only vanish on the training but also on out-sample data. Moreover, CGAVI admits a compact representation of the approximately vanishing ideal by constructing few generators with sparse coefficient vectors.

Scientific collaboration in almost every discipline is mainly driven by the need of sharing knowledge, expertise, and pooled resources. Science is becoming more complex which has encouraged scientists to involve more in collaborative research projects in order to better address the challenges. As a highly interdisciplinary field with a rapidly evolving scientific landscape, artificial intelligence calls for researchers with special profiles covering a diverse set of skills and expertise. Understanding gender aspects of scientific collaboration is of paramount importance, especially in a field such as artificial intelligence that has been attracting large investments. Using social network analysis, natural language processing, and machine learning and focusing on artificial intelligence publications for the period from 2000 to 2019, in this work, we comprehensively investigated the effects of several driving factors on acquiring key positions in scientific collaboration networks through a gender lens. It was found that, regardless of gender, scientific performance in terms of quantity and impact plays a crucial in possessing the "social researcher" in the network. However, subtle differences were observed between female and male researchers in acquiring the "local influencer" role.

Centralized Training for Decentralized Execution, where training is done in a centralized offline fashion, has become a popular solution paradigm in Multi-Agent Reinforcement Learning. Many such methods take the form of actor-critic with state-based critics, since centralized training allows access to the true system state, which can be useful during training despite not being available at execution time. State-based critics have become a common empirical choice, albeit one which has had limited theoretical justification or analysis. In this paper, we show that state-based critics can introduce bias in the policy gradient estimates, potentially undermining the asymptotic guarantees of the algorithm. We also show that, even if the state-based critics do not introduce any bias, they can still result in a larger gradient variance, contrary to the common intuition. Finally, we show the effects of the theories in practice by comparing different forms of centralized critics on a wide range of common benchmarks, and detail how various environmental properties are related to the effectiveness of different types of critics.

We consider the problem of minimizing the sum of two convex functions. One of those functions has Lipschitz-continuous gradients, and can be accessed via stochastic oracles, whereas the other is "simple". We provide a Bregman-type algorithm with accelerated convergence in function values to a ball containing the minimum. The radius of this ball depends on problem-dependent constants, including the variance of the stochastic oracle. We further show that this algorithmic setup naturally leads to a variant of Frank-Wolfe achieving acceleration under parallelization. More precisely, when minimizing a smooth convex function on a bounded domain, we show that one can achieve an $\epsilon$ primal-dual gap (in expectation) in $\tilde{O}(1/ \sqrt{\epsilon})$ iterations, by only accessing gradients of the original function and a linear maximization oracle with $O(1/\sqrt{\epsilon})$ computing units in parallel. We illustrate this fast convergence on synthetic numerical experiments.

Large Language Models (LMs) have achieved state-of-the-art performance on many Natural Language Processing (NLP) benchmarks. With the growing number of new benchmarks, we build bigger and more complex LMs. However, building new LMs may not be an ideal option owing to the cost, time and environmental impact associated with it. We explore an alternative route: can we modify data by expressing it in terms of the model's strengths, so that a question becomes easier for models to answer? We investigate if humans can decompose a hard question into a set of simpler questions that are relatively easier for models to solve. We analyze a range of datasets involving various forms of reasoning and find that it is indeed possible to significantly improve model performance (24% for GPT3 and 29% for RoBERTa-SQuAD along with a symbolic calculator) via decomposition. Our approach provides a viable option to involve people in NLP research in a meaningful way. Our findings indicate that Human-in-the-loop Question Decomposition (HQD) can potentially provide an alternate path to building large LMs.

Multi-armed bandit problems provide a framework to identify the optimal intervention over a sequence of repeated experiments. Without additional assumptions, minimax optimal performance (measured by cumulative regret) is well-understood. With access to additional observed variables that d-separate the intervention from the outcome (i.e., they are a d-separator), recent "causal bandit" algorithms provably incur less regret. However, in practice it is desirable to be agnostic to whether observed variables are a d-separator. Ideally, an algorithm should be adaptive; that is, perform nearly as well as an algorithm with oracle knowledge of the presence or absence of a d-separator. In this work, we formalize and study this notion of adaptivity, and provide a novel algorithm that simultaneously achieves (a) optimal regret when a d-separator is observed, improving on classical minimax algorithms, and (b) significantly smaller regret than recent causal bandit algorithms when the observed variables are not a d-separator. Crucially, our algorithm does not require any oracle knowledge of whether a d-separator is observed. We also generalize this adaptivity to other conditions, such as the front-door criterion.

We study the concentration phenomenon for discrete-time random dynamical systems with an unbounded state space. We develop a heuristic approach towards obtaining exponential concentration inequalities for dynamical systems using an entirely functional analytic framework. We also show that existence of exponential-type Lyapunov function, compared to the purely deterministic setting, not only implies stability but also exponential concentration inequalities for sampling from the stationary distribution, via \emph{transport-entropy inequality} (T-E). These results have significant impact in \emph{reinforcement learning} (RL) and \emph{controls}, leading to exponential concentration inequalities even for unbounded observables, while neither assuming reversibility nor exact knowledge of random dynamical system (assumptions at heart of concentration inequalities in statistical mechanics and Markov diffusion processes).

AdaBelief, one of the current best optimizers, demonstrates superior generalization ability compared to the popular Adam algorithm by viewing the exponential moving average of observed gradients. AdaBelief is theoretically appealing in that it has a data-dependent $O(\sqrt{T})$ regret bound when objective functions are convex, where $T$ is a time horizon. It remains however an open problem whether the convergence rate can be further improved without sacrificing its generalization ability. %on how to exploit strong convexity to further improve the convergence rate of AdaBelief. To this end, we make a first attempt in this work and design a novel optimization algorithm called FastAdaBelief that aims to exploit its strong convexity in order to achieve an even faster convergence rate. In particular, by adjusting the step size that better considers strong convexity and prevents fluctuation, our proposed FastAdaBelief demonstrates excellent generalization ability as well as superior convergence. As an important theoretical contribution, we prove that FastAdaBelief attains a data-dependant $O(\log T)$ regret bound, which is substantially lower than AdaBelief. On the empirical side, we validate our theoretical analysis with extensive experiments in both scenarios of strong and non-strong convexity on three popular baseline models. Experimental results are very encouraging: FastAdaBelief converges the quickest in comparison to all mainstream algorithms while maintaining an excellent generalization ability, in cases of both strong or non-strong convexity. FastAdaBelief is thus posited as a new benchmark model for the research community.

Advanced Driver-Assistance Systems (ADAS) have been thriving and widely deployed in recent years. In general, these systems receive sensor data, compute driving decisions, and output control signals to the vehicles. To smooth out the uncertainties brought by sensor outputs, they usually leverage multi-sensor fusion (MSF) to fuse the sensor outputs and produce a more reliable understanding of the surroundings. However, MSF cannot completely eliminate the uncertainties since it lacks the knowledge about which sensor provides the most accurate data and how to optimally integrate the data provided by the sensors. As a result, critical consequences might happen unexpectedly. In this work, we observed that the popular MSF methods in an industry-grade ADAS can mislead the car control and result in serious safety hazards. We define the failures (e.g., car crashes) caused by the faulty MSF as fusion errors and develop a novel evolutionary-based domain-specific search framework, FusED, for the efficient detection of fusion errors. We further apply causality analysis to show that the found fusion errors are indeed caused by the MSF method. We evaluate our framework on two widely used MSF methods in two driving environments. Experimental results show that FusED identifies more than 150 fusion errors. Finally, we provide several suggestions to improve the MSF methods we study.

Vertical federated learning (vFL) has gained much attention and been deployed to solve machine learning problems with data privacy concerns in recent years. However, some recent work demonstrated that vFL is vulnerable to privacy leakage even though only the forward intermediate embedding (rather than raw features) and backpropagated gradients (rather than raw labels) are communicated between the involved participants. As the raw labels often contain highly sensitive information, some recent work has been proposed to prevent the label leakage from the backpropagated gradients effectively in vFL. However, these work only identified and defended the threat of label leakage from the backpropagated gradients. None of these work has paid attention to the problem of label leakage from the intermediate embedding. In this paper, we propose a practical label inference method which can steal private labels effectively from the shared intermediate embedding even though some existing protection methods such as label differential privacy and gradients perturbation are applied. The effectiveness of the label attack is inseparable from the correlation between the intermediate embedding and corresponding private labels. To mitigate the issue of label leakage from the forward embedding, we add an additional optimization goal at the label party to limit the label stealing ability of the adversary by minimizing the distance correlation between the intermediate embedding and corresponding private labels. We conducted massive experiments to demonstrate the effectiveness of our proposed protection methods.

Regression problems with time-series predictors are common in banking and many other areas of application. In this paper, we use multi-head attention networks to develop interpretable features and use them to achieve good predictive performance. The customized attention layer explicitly uses multiplicative interactions and builds feature-engineering heads that capture temporal dynamics in a parsimonious manner. Convolutional layers are used to combine multivariate time series. We also discuss methods for handling static covariates in the modeling process. Visualization and explanation tools are used to interpret the results and explain the relationship between the inputs and the extracted features. Both simulation and real dataset are used to illustrate the usefulness of the methodology. Keyword: Attention heads, Deep neural networks, Interpretable feature engineering

We study the problem of learning a mixture of multiple linear dynamical systems (LDSs) from unlabeled short sample trajectories, each generated by one of the LDS models. Despite the wide applicability of mixture models for time-series data, learning algorithms that come with end-to-end performance guarantees are largely absent from existing literature. There are multiple sources of technical challenges, including but not limited to (1) the presence of latent variables (i.e. the unknown labels of trajectories); (2) the possibility that the sample trajectories might have lengths much smaller than the dimension $d$ of the LDS models; and (3) the complicated temporal dependence inherent to time-series data. To tackle these challenges, we develop a two-stage meta-algorithm, which is guaranteed to efficiently recover each ground-truth LDS model up to error $\tilde{O}(\sqrt{d/T})$, where $T$ is the total sample size. We validate our theoretical studies with numerical experiments, confirming the efficacy of the proposed algorithm.

Variational autoencoders (VAEs) are a popular class of deep generative models with many variants and a wide range of applications. Improvements upon the standard VAE mostly focus on the modelling of the posterior distribution over the latent space and the properties of the neural network decoder. In contrast, improving the model for the observational distribution is rarely considered and typically defaults to a pixel-wise independent categorical or normal distribution. In image synthesis, sampling from such distributions produces spatially-incoherent results with uncorrelated pixel noise, resulting in only the sample mean being somewhat useful as an output prediction. In this paper, we aim to stay true to VAE theory by improving the samples from the observational distribution. We propose an alternative model for the observation space, encoding spatial dependencies via a low-rank parameterisation. We demonstrate that this new observational distribution has the ability to capture relevant covariance between pixels, resulting in spatially-coherent samples. In contrast to pixel-wise independent distributions, our samples seem to contain semantically meaningful variations from the mean allowing the prediction of multiple plausible outputs with a single forward pass.

Geomagnetically Induced Currents (GICs) arise from spatio-temporal changes to Earth's magnetic field which arise from the interaction of the solar wind with Earth's magnetosphere, and drive catastrophic destruction to our technologically dependent society. Hence, computational models to forecast GICs globally with large forecast horizon, high spatial resolution and temporal cadence are of increasing importance to perform prompt necessary mitigation. Since GIC data is proprietary, the time variability of horizontal component of the magnetic field perturbation (dB/dt) is used as a proxy for GICs. In this work, we develop a fast, global dB/dt forecasting model, which forecasts 30 minutes into the future using only solar wind measurements as input. The model summarizes 2 hours of solar wind measurement using a Gated Recurrent Unit, and generates forecasts of coefficients which are folded with a spherical harmonic basis to enable global forecasts. When deployed, our model produces results in under a second, and generates global forecasts for horizontal magnetic perturbation components at 1-minute cadence. We evaluate our model across models in literature for two specific storms of 5 August 2011 and 17 March 2015, while having a self-consistent benchmark model set. Our model outperforms, or has consistent performance with state-of-the-practice high time cadence local and low time cadence global models, while also outperforming/having comparable performance with the benchmark models. Such quick inferences at high temporal cadence and arbitrary spatial resolutions may ultimately enable accurate forewarning of dB/dt for any place on Earth, resulting in precautionary measures to be taken in an informed manner.

Two-party split learning is a popular technique for learning a model across feature-partitioned data. In this work, we explore whether it is possible for one party to steal the private label information from the other party during split training, and whether there are methods that can protect against such attacks. Specifically, we first formulate a realistic threat model and propose a privacy loss metric to quantify label leakage in split learning. We then show that there exist two simple yet effective methods within the threat model that can allow one party to accurately recover private ground-truth labels owned by the other party. To combat these attacks, we propose several random perturbation techniques, including $\texttt{Marvell}$, an approach that strategically finds the structure of the noise perturbation by minimizing the amount of label leakage (measured through our quantification metric) of a worst-case adversary. We empirically demonstrate the effectiveness of our protection techniques against the identified attacks, and show that $\texttt{Marvell}$ in particular has improved privacy-utility tradeoffs relative to baseline approaches.

Unsupervised domain adaptation (UDA) aims to predict unlabeled data from target domain with access to labeled data from the source domain. In this work, we propose a novel framework called SIDA (Surrogate Mutual Information Maximization Domain Adaptation) with strong theoretical guarantees. To be specific, SIDA implements adaptation by maximizing mutual information (MI) between features. In the framework, a surrogate joint distribution models the underlying joint distribution of the unlabeled target domain. Our theoretical analysis validates SIDA by bounding the expected risk on target domain with MI and surrogate distribution bias. Experiments show that our approach is comparable with state-of-the-art unsupervised adaptation methods on standard UDA tasks.

In this paper, we propose a probabilistic physics-guided framework, termed Physics-guided Deep Markov Model (PgDMM). The framework targets the inference of the characteristics and latent structure of nonlinear dynamical systems from measurement data, where exact inference of latent variables is typically intractable. A recently surfaced option pertains to leveraging variational inference to perform approximate inference. In such a scheme, transition and emission functions of the system are parameterized via feed-forward neural networks (deep generative models). However, due to the generalized and highly versatile formulation of neural network functions, the learned latent space often lacks physical interpretation and structured representation. To address this, we bridge physics-based state space models with Deep Markov Models, thus delivering a hybrid modeling framework for unsupervised learning and identification of nonlinear dynamical systems. The proposed framework takes advantage of the expressive power of deep learning, while retaining the driving physics of the dynamical system by imposing physics-driven restrictions on the side of the latent space. We demonstrate the benefits of such a fusion in terms of achieving improved performance on illustrative simulation examples and experimental case studies of nonlinear systems. Our results indicate that the physics-based models involved in the employed transition and emission functions essentially enforce a more structured and physically interpretable latent space, which is essential for enhancing and generalizing the predictive capabilities of deep learning-based models.

Conveying complex objectives to reinforcement learning (RL) agents often requires meticulous reward engineering. Preference-based RL methods are able to learn a more flexible reward model based on human preferences by actively incorporating human feedback, i.e. teacher's preferences between two clips of behaviors. However, poor feedback-efficiency still remains a problem in current preference-based RL algorithms, as tailored human feedback is very expensive. To handle this issue, previous methods have mainly focused on improving query selection and policy initialization. At the same time, recent exploration methods have proven to be a recipe for improving sample-efficiency in RL. We present an exploration method specifically for preference-based RL algorithms. Our main idea is to design an intrinsic reward by measuring the novelty based on learned reward. Specifically, we utilize disagreement across ensemble of learned reward models. Our intuition is that disagreement in learned reward model reflects uncertainty in tailored human feedback and could be useful for exploration. Our experiments show that exploration bonus from uncertainty in learned reward improves both feedback- and sample-efficiency of preference-based RL algorithms on complex robot manipulation tasks from MetaWorld benchmarks, compared with other existing exploration methods that measure the novelty of state visitation.

We combine the capacity of sparsely gated Mixture-of-Experts (MoE) with the speed and stability of linear, mixing transformations to design the Sparse Mixer encoder model. The Sparse Mixer slightly outperforms (<1%) BERT on GLUE and SuperGLUE, but more importantly trains 65% faster and runs inference 61% faster. We also present a faster variant, prosaically named Fast Sparse Mixer, that marginally underperforms (<0.2%) BERT on SuperGLUE, but trains and runs nearly twice as fast: 89% faster training and 98% faster inference. We justify the design of these two models by carefully ablating through various mixing mechanisms, MoE configurations and model hyperparameters. The Sparse Mixer overcomes many of the latency and stability concerns of MoE models and offers the prospect of serving sparse student models, without resorting to distilling them to dense variants.

We propose a new learning framework that captures the tiered structure of many real-world user-interaction applications, where the users can be divided into two groups based on their different tolerance on exploration risks and should be treated separately. In this setting, we simultaneously maintain two policies $\pi^{\text{O}}$ and $\pi^{\text{E}}$: $\pi^{\text{O}}$ ("O" for "online") interacts with more risk-tolerant users from the first tier and minimizes regret by balancing exploration and exploitation as usual, while $\pi^{\text{E}}$ ("E" for "exploit") exclusively focuses on exploitation for risk-averse users from the second tier utilizing the data collected so far. An important question is whether such a separation yields advantages over the standard online setting (i.e., $\pi^{\text{E}}=\pi^{\text{O}}$) for the risk-averse users. We individually consider the gap-independent vs.~gap-dependent settings. For the former, we prove that the separation is indeed not beneficial from a minimax perspective. For the latter, we show that if choosing Pessimistic Value Iteration as the exploitation algorithm to produce $\pi^{\text{E}}$, we can achieve a constant regret for risk-averse users independent of the number of episodes $K$, which is in sharp contrast to the $\Omega(\log K)$ regret for any online RL algorithms in the same setting, while the regret of $\pi^{\text{O}}$ (almost) maintains its online regret optimality and does not need to compromise for the success of $\pi^{\text{E}}$.

This paper proposes GuardNN, a secure DNN accelerator that provides hardware-based protection for user data and model parameters even in an untrusted environment. GuardNN shows that the architecture and protection can be customized for a specific application to provide strong confidentiality and integrity guarantees with negligible overhead. The design of the GuardNN instruction set reduces the TCB to just the accelerator and allows confidentiality protection even when the instructions from a host cannot be trusted. GuardNN minimizes the overhead of memory encryption and integrity verification by customizing the off-chip memory protection for the known memory access patterns of a DNN accelerator. GuardNN is prototyped on an FPGA, demonstrating effective confidentiality protection with ~3% performance overhead for inference.

Most complex machine learning and modelling techniques are prone to over-fitting and may subsequently generalise poorly to future data. Artificial neural networks are no different in this regard and, despite having a level of implicit regularisation when trained with gradient descent, often require the aid of explicit regularisers. We introduce a new framework, Model Gradient Similarity (MGS), that (1) serves as a metric of regularisation, which can be used to monitor neural network training, (2) adds insight into how explicit regularisers, while derived from widely different principles, operate via the same mechanism underneath by increasing MGS, and (3) provides the basis for a new regularisation scheme which exhibits excellent performance, especially in challenging settings such as high levels of label noise or limited sample sizes.

The widespread availability of satellite images has allowed researchers to model complex systems such as disease dynamics. However, many satellite images have missing values due to measurement defects, which render them unusable without data imputation. For example, the scanline corrector for the LANDSAT 7 satellite broke down in 2003, resulting in a loss of around 20\% of its data. Inpainting involves predicting what is missing based on the known pixels and is an old problem in image processing, classically based on PDEs or interpolation methods, but recent deep learning approaches have shown promise. However, many of these methods do not explicitly take into account the inherent spatiotemporal structure of satellite images. In this work, we cast satellite image inpainting as a natural meta-learning problem, and propose using convolutional neural processes (ConvNPs) where we frame each satellite image as its own task or 2D regression problem. We show ConvNPs can outperform classical methods and state-of-the-art deep learning inpainting models on a scanline inpainting problem for LANDSAT 7 satellite images, assessed on a variety of in and out-of-distribution images.

We study stochastic algorithms in a streaming framework, trained on samples coming from a dependent data source. In this streaming framework, we analyze the convergence of Stochastic Gradient (SG) methods in a non-asymptotic manner; this includes various SG methods such as the well-known stochastic gradient descent (i.e., Robbins-Monro algorithm), mini-batch SG methods, together with their averaged estimates (i.e., Polyak-Ruppert averaged). Our results form a heuristic by linking the level of dependency and convexity to the rest of the model parameters. This heuristic provides new insights into choosing the optimal learning rate, which can help increase the stability of SGbased methods; these investigations suggest large streaming batches with slow decaying learning rates for highly dependent data sources.

We study the performance of Stochastic Cubic Regularized Newton (SCRN) on a class of functions satisfying gradient dominance property which holds in a wide range of applications in machine learning and signal processing. This condition ensures that any first-order stationary point is a global optimum. We prove that SCRN improves the best-known sample complexity of stochastic gradient descent in achieving $\epsilon$-global optimum by a factor of $\mathcal{O}(\epsilon^{-1/2})$. Even under a weak version of gradient dominance property, which is applicable to policy-based reinforcement learning (RL), SCRN achieves the same improvement over stochastic policy gradient methods. Additionally, we show that the sample complexity of SCRN can be improved by a factor of ${\mathcal{O}}(\epsilon^{-1/2})$ using a variance reduction method with time-varying batch sizes. Experimental results in various RL settings showcase the remarkable performance of SCRN compared to first-order methods.

End-to-end training of neural network solvers for graph combinatorial optimization problems such as the Travelling Salesperson Problem (TSP) have seen a surge of interest recently, but remain intractable and inefficient beyond graphs with few hundreds of nodes. While state-of-the-art learning-driven approaches for TSP perform closely to classical solvers when trained on trivially small sizes, they are unable to generalize the learnt policy to larger instances at practical scales. This work presents an end-to-end neural combinatorial optimization pipeline that unifies several recent papers in order to identify the inductive biases, model architectures and learning algorithms that promote generalization to instances larger than those seen in training. Our controlled experiments provide the first principled investigation into such zero-shot generalization, revealing that extrapolating beyond training data requires rethinking the neural combinatorial optimization pipeline, from network layers and learning paradigms to evaluation protocols. Additionally, we analyze recent advances in deep learning for routing problems through the lens of our pipeline and provide new directions to stimulate future research.

Determinantal Point Processes (DPPs) are a widely used probabilistic model for negatively correlated sets. DPPs have been successfully employed in Machine Learning applications to select a diverse, yet representative subset of data. In seminal work on DPPs in Machine Learning, Kulesza conjectured in his PhD Thesis (2011) that the problem is NP-complete. The lack of a formal proof prompted Brunel, Moitra, Rigollet and Urschel (COLT 2017) to conjecture that, in opposition to Kulesza's conjecture, there exists a polynomial-time algorithm for computing a maximum-likelihood DPP. They also presented some preliminary evidence supporting their conjecture. In this work we prove Kulesza's conjecture. In fact, we prove the following stronger hardness of approximation result: even computing a $\left(1-O(\frac{1}{\log^9{N}})\right)$-approximation to the maximum log-likelihood of a DPP on a ground set of $N$ elements is NP-complete. At the same time, we also obtain the first polynomial-time algorithm that achieves a nontrivial worst-case approximation to the optimal log-likelihood: the approximation factor is $\frac{1}{(1+o(1))\log{m}}$ unconditionally (for data sets that consist of $m$ subsets), and can be improved to $1-\frac{1+o(1)}{\log N}$ if all $N$ elements appear in a $O(1/N)$-fraction of the subsets. In terms of techniques, we reduce approximating the maximum log-likelihood of DPPs on a data set to solving a gap instance of a "vector coloring" problem on a hypergraph. Such a hypergraph is built on a bounded-degree graph construction of Bogdanov, Obata and Trevisan (FOCS 2002), and is further enhanced by the strong expanders of Alon and Capalbo (FOCS 2007) to serve our purposes.

In this research, we present our findings to recognize American Sign Language from series of hand gestures. While most researches in literature focus only on static handshapes, our work target dynamic hand gestures. Since dynamic signs dataset are very few, we collect an initial dataset of 150 videos for 10 signs and an extension of 225 videos for 15 signs. We apply transfer learning models in combination with deep neural networks and background subtraction for videos in different temporal settings. Our primarily results show that we can get an accuracy of $0.86$ and $0.71$ using DenseNet201, LSTM with video sequence of 12 frames accordingly.

Detecting and localizing image manipulation are necessary to counter malicious use of image editing techniques. Accordingly, it is essential to distinguish between authentic and tampered regions by analyzing intrinsic statistics in an image. We focus on JPEG compression artifacts left during image acquisition and editing. We propose a convolutional neural network (CNN) that uses discrete cosine transform (DCT) coefficients, where compression artifacts remain, to localize image manipulation. Standard CNNs cannot learn the distribution of DCT coefficients because the convolution throws away the spatial coordinates, which are essential for DCT coefficients. We illustrate how to design and train a neural network that can learn the distribution of DCT coefficients. Furthermore, we introduce Compression Artifact Tracing Network (CAT-Net) that jointly uses image acquisition artifacts and compression artifacts. It significantly outperforms traditional and deep neural network-based methods in detecting and localizing tampered regions.

Most existing sequence generation models produce outputs in one pass, usually left-to-right. However, this is in contrast with a more natural approach that humans use in generating content; iterative refinement and editing. Recent work has introduced edit-based models for various tasks (such as neural machine translation and text style transfer), but these generally model a single edit step. In this work, we propose modeling editing processes, modeling the whole process of iteratively generating sequences. We form a conceptual framework to describe the likelihood of multi-step edits, and describe neural models that can learn a generative model of sequences based on these multistep edits. We introduce baseline results and metrics on this task, finding that modeling editing processes improves performance on a variety of axes on both our proposed task and related downstream tasks compared to previous single-step models of edits.

Fine-tuning large-scale pre-trained language models to downstream tasks require updating hundreds of millions of parameters. This not only increases the serving cost to store a large copy of the model weights for every task, but also exhibits instability during few-shot task adaptation. Parameter-efficient techniques have been developed that tune small trainable components (e.g., adapters) injected in the large model while keeping most of the model weights frozen. The prevalent mechanism to increase adapter capacity is to increase the bottleneck dimension which increases the adapter parameters. In this work, we introduce a new mechanism to improve adapter capacity without increasing parameters or computational cost by two key techniques. (i) We introduce multiple shared adapter components in each layer of the Transformer architecture. We leverage sparse learning via random routing to update the adapter parameters (encoder is kept frozen) resulting in the same amount of computational cost (FLOPs) as that of training a single adapter. (ii) We propose a simple merging mechanism to average the weights of multiple adapter components to collapse to a single adapter in each Transformer layer, thereby, keeping the overall parameters also the same but with significant performance improvement. We demonstrate these techniques to work well across multiple task settings including fully supervised and few-shot Natural Language Understanding tasks. By only tuning 0.23% of a pre-trained language model's parameters, our model outperforms the full model fine-tuning performance and several competing methods.

Future wireless systems are trending towards higher carrier frequencies that offer larger communication bandwidth but necessitate the use of large antenna arrays. Existing signal processing techniques for channel estimation do not scale well to this "high-dimensional" regime in terms of performance and pilot overhead. Meanwhile, training deep learning based approaches for channel estimation requires large labeled datasets mapping pilot measurements to clean channel realizations, which can only be generated offline using simulated channels. In this paper, we develop a novel unsupervised over-the-air (OTA) algorithm that utilizes noisy received pilot measurements to train a deep generative model to output beamspace MIMO channel realizations. Our approach leverages Generative Adversarial Networks (GAN), while using a conditional input to distinguish between Line-of-Sight (LOS) and Non-Line-of-Sight (NLOS) channel realizations. We also present a federated implementation of the OTA algorithm that distributes the GAN training over multiple users and greatly reduces the user side computation. We then formulate channel estimation from a limited number of pilot measurements as an inverse problem and reconstruct the channel by optimizing the input vector of the trained generative model. Our proposed approach significantly outperforms Orthogonal Matching Pursuit on both LOS and NLOS channel models, and EM-GM-AMP -- an Approximate Message Passing algorithm -- on LOS channel models, while achieving comparable performance on NLOS channel models in terms of the normalized channel reconstruction error. More importantly, our proposed framework has the potential to be trained online using real noisy pilot measurements, is not restricted to a specific channel model and can even be utilized for a federated OTA design of a dataset generator from noisy data.

Federated learning (FL) is a collaborative learning paradigm where participants jointly train a powerful model without sharing their private data. One desirable property for FL is the implementation of the right to be forgotten (RTBF), i.e., a leaving participant has the right to request to delete its private data from the global model. However, unlearning itself may not be enough to implement RTBF unless the unlearning effect can be independently verified, an important aspect that has been overlooked in the current literature. In this paper, we prompt the concept of verifiable federated unlearning, and propose VeriFi, a unified framework integrating federated unlearning and verification that allows systematic analysis of the unlearning and quantification of its effect, with different combinations of multiple unlearning and verification methods. In VeriFi, the leaving participant is granted the right to verify (RTV), that is, the participant notifies the server before leaving, then actively verifies the unlearning effect in the next few communication rounds. The unlearning is done at the server side immediately after receiving the leaving notification, while the verification is done locally by the leaving participant via two steps: marking (injecting carefully-designed markers to fingerprint the leaver) and checking (examining the change of the global model's performance on the markers). Based on VeriFi, we conduct the first systematic and large-scale study for verifiable federated unlearning, considering 7 unlearning methods and 5 verification methods. Particularly, we propose a more efficient and FL-friendly unlearning method, and two more effective and robust non-invasive-verification methods. We extensively evaluate VeriFi on 7 datasets and 4 types of deep learning models. Our analysis establishes important empirical understandings for more trustworthy federated unlearning.

We propose a kernel-based nonparametric test of relative goodness of fit, where the goal is to compare two models, both of which may have unobserved latent variables, such that the marginal distribution of the observed variables is intractable. The proposed test generalizes the recently proposed kernel Stein discrepancy (KSD) tests (Liu et al., 2016, Chwialkowski et al., 2016, Yang et al., 2018) to the case of latent variable models, a much more general class than the fully observed models treated previously. The new test, with a properly calibrated threshold, has a well-controlled type-I error. In the case of certain models with low-dimensional latent structure and high-dimensional observations, our test significantly outperforms the relative Maximum Mean Discrepancy test, which is based on samples from the models and does not exploit the latent structure.

Modern deep neural networks must demonstrate state-of-the-art accuracy while exhibiting low latency and energy consumption. As such, neural architecture search (NAS) algorithms take these two constraints into account when generating a new architecture. However, efficiency metrics such as latency are typically hardware dependent requiring the NAS algorithm to either measure or predict the architecture latency. Measuring the latency of every evaluated architecture adds a significant amount of time to the NAS process. Here we propose Microprocessor A Priori for Latency Estimation MAPLE that does not rely on transfer learning or domain adaptation but instead generalizes to new hardware by incorporating a prior hardware characteristics during training. MAPLE takes advantage of a novel quantitative strategy to characterize the underlying microprocessor by measuring relevant hardware performance metrics, yielding a fine-grained and expressive hardware descriptor. Moreover, the proposed MAPLE benefits from the tightly coupled I/O between the CPU and GPU and their dependency to predict DNN latency on GPUs while measuring microprocessor performance hardware counters from the CPU feeding the GPU hardware. Through this quantitative strategy as the hardware descriptor, MAPLE can generalize to new hardware via a few shot adaptation strategy where with as few as 3 samples it exhibits a 6% improvement over state-of-the-art methods requiring as much as 10 samples. Experimental results showed that, increasing the few shot adaptation samples to 10 improves the accuracy significantly over the state-of-the-art methods by 12%. Furthermore, it was demonstrated that MAPLE exhibiting 8-10% better accuracy, on average, compared to relevant baselines at any number of adaptation samples.

Applications of Reinforcement Learning (RL), in which agents learn to make a sequence of decisions despite lacking complete information about the latent states of the controlled system, that is, they act under partial observability of the states, are ubiquitous. Partially observable RL can be notoriously difficult -- well-known information-theoretic results show that learning partially observable Markov decision processes (POMDPs) requires an exponential number of samples in the worst case. Yet, this does not rule out the existence of large subclasses of POMDPs over which learning is tractable. In this paper we identify such a subclass, which we call weakly revealing POMDPs. This family rules out the pathological instances of POMDPs where observations are uninformative to a degree that makes learning hard. We prove that for weakly revealing POMDPs, a simple algorithm combining optimism and Maximum Likelihood Estimation (MLE) is sufficient to guarantee polynomial sample complexity. To the best of our knowledge, this is the first provably sample-efficient result for learning from interactions in overcomplete POMDPs, where the number of latent states can be larger than the number of observations.

Low-quality listings and bad actor behavior in online retail websites threatens e-commerce business as these result in sub-optimal buying experience and erode customer trust. When a new listing is created, how to tell it has good-quality? Is the method effective, fast, and scalable? Previous approaches often have three limitations/challenges: (1) unable to handle cold start problems where new sellers/listings lack sufficient selling histories. (2) inability of scoring hundreds of millions of listings at scale, or compromise performance for scalability. (3) has space challenges from large-scale graph with giant e-commerce business size. To overcome these limitations/challenges, we proposed ColdGuess, an inductive graph-based risk predictor built upon a heterogeneous seller product graph, which effectively identifies risky seller/product/listings at scale. ColdGuess tackles the large-scale graph by consolidated nodes, and addresses the cold start problems using homogeneous influence1. The evaluation on real data demonstrates that ColdGuess has stable performance as the number of unknown features increases. It outperforms the lightgbm2 by up to 34 pcp ROC-AUC in a cold start case when a new seller sells a new product . The resulting system, ColdGuess, is effective, adaptable to changing risky seller behavior, and is already in production

Recent work suggests that convolutional neural networks of different architectures learn to classify images in the same order. To understand this phenomenon, we revisit the over-parametrized deep linear network model. Our analysis reveals that, when the hidden layers are wide enough, the convergence rate of this model's parameters is exponentially faster along the directions of the larger principal components of the data, at a rate governed by the corresponding singular values. We term this convergence pattern the Principal Components bias (PC-bias). Empirically, we show how the PC-bias streamlines the order of learning of both linear and non-linear networks, more prominently at earlier stages of learning. We then compare our results to the simplicity bias, showing that both biases can be seen independently, and affect the order of learning in different ways. Finally, we discuss how the PC-bias may explain some benefits of early stopping and its connection to PCA, and why deep networks converge more slowly with random labels.

Malware is a major threat to computer systems and imposes many challenges to cyber security. Targeted threats, such as ransomware, cause millions of dollars in losses every year. The constant increase of malware infections has been motivating popular antiviruses (AVs) to develop dedicated detection strategies, which include meticulously crafted machine learning (ML) pipelines. However, malware developers unceasingly change their samples features to bypass detection. This constant evolution of malware samples causes changes to the data distribution (i.e., concept drifts) that directly affect ML model detection rates. In this work, we evaluate the impact of concept drift on malware classifiers for two Android datasets: DREBIN (~130K apps) and AndroZoo (~350K apps). Android is a ubiquitous operating system for smartphones, which stimulates attackers to regularly create and update malware to the platform. We conducted a longitudinal evaluation by (i) classifying malware samples collected over nine years (2009-2018), (ii) reviewing concept drift detection algorithms to attest its pervasiveness, (iii) comparing distinct ML approaches to mitigate the issue, and (iv) proposing an ML data stream pipeline that outperformed literature approaches. As a result, we observed that updating every component of the pipeline in response to concept drifts allows the classification model to achieve increasing detection rates as the data representation (extracted features) is updated. Furthermore, we discuss the impact of the changes on the classification models by comparing the variations in the extracted features.

We introduce torchNTK, a python library to calculate the empirical neural tangent kernel (NTK) of neural network models in the PyTorch framework. We provide an efficient method to calculate the NTK of multilayer perceptrons. We compare the explicit differentiation implementation against autodifferentiation implementations, which have the benefit of extending the utility of the library to any architecture supported by PyTorch, such as convolutional networks. A feature of the library is that we expose the user to layerwise NTK components, and show that in some regimes a layerwise calculation is more memory efficient. We conduct preliminary experiments to demonstrate use cases for the software and probe the NTK.

We study a multi-agent stochastic linear bandit with side information, parameterized by an unknown vector $\theta^* \in \mathbb{R}^d$. The side information consists of a finite collection of low-dimensional subspaces, one of which contains $\theta^*$. In our setting, agents can collaborate to reduce regret by sending recommendations across a communication graph connecting them. We present a novel decentralized algorithm, where agents communicate subspace indices with each other and each agent plays a projected variant of LinUCB on the corresponding (low-dimensional) subspace. By distributing the search for the optimal subspace across users and learning of the unknown vector by each agent in the corresponding low-dimensional subspace, we show that the per-agent finite-time regret is much smaller than the case when agents do not communicate. We finally complement these results through simulations.

Protein complexes are macromolecules essential to the functioning and well-being of all living organisms. As the structure of a protein complex, in particular its region of interaction between multiple protein subunits (i.e., chains), has a notable influence on the biological function of the complex, computational methods that can quickly and effectively be used to refine and assess the quality of a protein complex's 3D structure can directly be used within a drug discovery pipeline to accelerate the development of new therapeutics and improve the efficacy of future vaccines. In this work, we introduce the Equivariant Graph Refiner (EGR), a novel E(3)-equivariant graph neural network (GNN) for multi-task structure refinement and assessment of protein complexes. Our experiments on new, diverse protein complex datasets, all of which we make publicly available in this work, demonstrate the state-of-the-art effectiveness of EGR for atomistic refinement and assessment of protein complexes and outline directions for future work in the field. In doing so, we establish a baseline for future studies in macromolecular refinement and structure analysis.

Online education platforms are powered by various NLP pipelines, which utilize models like BERT to aid in content curation. Since the inception of the pre-trained language models like BERT, there have also been many efforts toward adapting these pre-trained models to specific domains. However, there has not been a model specifically adapted for the education domain (particularly K-12) across subjects to the best of our knowledge. In this work, we propose to train a language model on a corpus of data curated by us across multiple subjects from various sources for K-12 education. We also evaluate our model, K12-BERT, on downstream tasks like hierarchical taxonomy tagging.

Solar activity has significant impacts on human activities and health. One most commonly used measure of solar activity is the sunspot number. This paper compares three important non-deep learning models, four popular deep learning models, and their five ensemble models in forecasting sunspot numbers. In particular, we propose an ensemble model called XGBoost-DL, which uses XGBoost as a two-level nonlinear ensemble method to combine the deep learning models. Our XGBoost-DL achieves the best forecasting performance (RMSE = 25.70 and MAE = 19.82) in the comparison, outperforming the best non-deep learning model SARIMA (RMSE = 54.11 and MAE = 45.51), the best deep learning model Informer (RMSE = 29.90 and MAE = 22.35) and the NASA's forecast (RMSE = 48.38 and MAE = 38.45). Our XGBoost-DL forecasts a peak sunspot number of 133.47 in May 2025 for Solar Cycle 25 and 164.62 in November 2035 for Solar Cycle 26, similar to but later than the NASA's at 137.7 in October 2024 and 161.2 in December 2034. An open-source Python package of our XGBoost-DL for the sunspot number prediction is available at https://github.com/yd1008/ts_ensemble_sunspot.

Masked language models conventionally use a masking rate of 15% due to the belief that more masking would provide insufficient context to learn good representations, and less masking would make training too expensive. Surprisingly, we find that masking up to 40% of input tokens can outperform the 15% baseline, and even masking 80% can preserve most of the performance, as measured by finetuning on downstream tasks. Increasing the masking rates has two distinct effects, which we investigate through careful ablations: (1) A larger proportion of input tokens are corrupted, reducing the context size and creating a harder task, and (2) models perform more predictions, which benefits training. We observe that larger models with more capacity to tackle harder tasks in particular favor higher masking rates. We also find that even more sophisticated masking schemes such as span masking or PMI masking can benefit from higher masking rates, albeit to a smaller extent. Our results contribute to a better understanding of masked language modeling and shed light on more efficient language pre-training.

Federated Learning has become an important learning paradigm due to its privacy and computational benefits. As the field advances, two key challenges that still remain to be addressed are: (1) system heterogeneity - variability in the compute and/or data resources present on each client, and (2) lack of labeled data in certain federated settings. Several recent developments have tried to overcome these challenges independently. In this work, we propose a unified and systematic framework, \emph{Heterogeneous Self-supervised Federated Learning} (Hetero-SSFL) for enabling self-supervised learning with federation on heterogeneous clients. The proposed framework allows collaborative representation learning across all the clients without imposing architectural constraints or requiring presence of labeled data. The key idea in Hetero-SSFL is to let each client train its unique self-supervised model and enable the joint learning across clients by aligning the lower dimensional representations on a common dataset. The entire training procedure could be viewed as self and peer-supervised as both the local training and the alignment procedures do not require presence of any labeled data. As in conventional self-supervised learning, the obtained client models are task independent and can be used for varied end-tasks. We provide a convergence guarantee of the proposed framework for non-convex objectives in heterogeneous settings and also empirically demonstrate that our proposed approach outperforms the state of the art methods by a significant margin.

Model compression by way of parameter pruning, quantization, or distillation has recently gained popularity as an approach for reducing the computational requirements of modern deep neural network models for NLP. Pruning unnecessary parameters has emerged as a simple and effective method for compressing large models that is compatible with a wide variety of contemporary off-the-shelf hardware (unlike quantization), and that requires little additional training (unlike distillation). Pruning approaches typically take a large, accurate model as input, then attempt to discover a smaller subnetwork of that model capable of achieving end-task accuracy comparable to the full model. Inspired by previous work suggesting a connection between simpler, more generalizable models and those that lie within flat basins in the loss landscape, we propose to directly optimize for flat minima while performing task-specific pruning, which we hypothesize should lead to simpler parameterizations and thus more compressible models. In experiments combining sharpness-aware minimization with both iterative magnitude pruning and structured pruning approaches, we show that optimizing for flat minima consistently leads to greater compressibility of parameters compared to standard Adam optimization when fine-tuning BERT models, leading to higher rates of compression with little to no loss in accuracy on the GLUE classification benchmark.

Generative adversarial networks (GANs) have made remarkable progress in synthesizing realistic-looking images that effectively outsmart even humans. Although several detection methods can recognize these deep fakes by checking for image artifacts from the generation process, multiple counterattacks have demonstrated their limitations. These attacks, however, still require certain conditions to hold, such as interacting with the detection method or adjusting the GAN directly. In this paper, we introduce a novel class of simple counterattacks that overcomes these limitations. In particular, we show that an adversary can remove indicative artifacts, the GAN fingerprint, directly from the frequency spectrum of a generated image. We explore different realizations of this removal, ranging from filtering high frequencies to more nuanced frequency-peak cleansing. We evaluate the performance of our attack with different detection methods, GAN architectures, and datasets. Our results show that an adversary can often remove GAN fingerprints and thus evade the detection of generated images.

Recent studies show that Transformer has strong capability of building long-range dependencies, yet is incompetent in capturing high frequencies that predominantly convey local information. To tackle this issue, we present a novel and general-purpose Inception Transformer, or iFormer for short, that effectively learns comprehensive features with both high- and low-frequency information in visual data. Specifically, we design an Inception mixer to explicitly graft the advantages of convolution and max-pooling for capturing the high-frequency information to Transformers. Different from recent hybrid frameworks, the Inception mixer brings greater efficiency through a channel splitting mechanism to adopt parallel convolution/max-pooling path and self-attention path as high- and low-frequency mixers, while having the flexibility to model discriminative information scattered within a wide frequency range. Considering that bottom layers play more roles in capturing high-frequency details while top layers more in modeling low-frequency global information, we further introduce a frequency ramp structure, i.e. gradually decreasing the dimensions fed to the high-frequency mixer and increasing those to the low-frequency mixer, which can effectively trade-off high- and low-frequency components across different layers. We benchmark the iFormer on a series of vision tasks, and showcase that it achieves impressive performance on image classification, COCO detection and ADE20K segmentation. For example, our iFormer-S hits the top-1 accuracy of 83.4% on ImageNet-1K, much higher than DeiT-S by 3.6%, and even slightly better than much bigger model Swin-B (83.3%) with only 1/4 parameters and 1/3 FLOPs. Code and models will be released at https://github.com/sail-sg/iFormer.

We propose a new physics guided machine learning (PGML) paradigm that leverages the variational multiscale (VMS) framework and available data to dramatically increase the accuracy of reduced order models (ROMs) at a modest computational cost. The hierarchical structure of the ROM basis and the VMS framework enable a natural separation of the resolved and unresolved ROM spatial scales. Modern PGML algorithms are used to construct novel models for the interaction among the resolved and unresolved ROM scales. Specifically, the new framework builds ROM operators that are closest to the true interaction terms in the VMS framework. Finally, machine learning is used to reduce the projection error and further increase the ROM accuracy. Our numerical experiments for a two-dimensional vorticity transport problem show that the novel PGML-VMS-ROM paradigm maintains the low computational cost of current ROMs, while significantly increasing the ROM accuracy.

Treatments for breast cancer have continued to evolve and improve in recent years, resulting in a substantial increase in survival rates, with approximately 80\% of patients having a 10-year survival period. Given the serious impact that breast cancer treatments can have on a patient's body image, consequently affecting her self-confidence and sexual and intimate relationships, it is paramount to ensure that women receive the treatment that optimizes both survival and aesthetic outcomes. Currently, there is no gold standard for evaluating the aesthetic outcome of breast cancer treatment. In addition, there is no standard way to show patients the potential outcome of surgery. The presentation of similar cases from the past would be extremely important to manage women's expectations of the possible outcome. In this work, we propose a deep neural network to perform the aesthetic evaluation. As a proof-of-concept, we focus on a binary aesthetic evaluation. Besides its use for classification, this deep neural network can also be used to find the most similar past cases by searching for nearest neighbours in the highly semantic space before classification. We performed the experiments on a dataset consisting of 143 photos of women after conservative treatment for breast cancer. The results for accuracy and balanced accuracy showed the superior performance of our proposed model compared to the state of the art in aesthetic evaluation of breast cancer treatments. In addition, the model showed a good ability to retrieve similar previous cases, with the retrieved cases having the same or adjacent class (in the 4-class setting) and having similar types of asymmetry. Finally, a qualitative interpretability assessment was also performed to analyse the robustness and trustworthiness of the model.

The matching principles behind optimal transport (OT) play an increasingly important role in machine learning, a trend which can be observed when OT is used to disambiguate datasets in applications (e.g. single-cell genomics) or used to improve more complex methods (e.g. balanced attention in transformers or self-supervised learning). To scale to more challenging problems, there is a growing consensus that OT requires solvers that can operate on millions, not thousands, of points. The low-rank optimal transport (LOT) approach advocated in \cite{scetbon2021lowrank} holds several promises in that regard, and was shown to complement more established entropic regularization approaches, being able to insert itself in more complex pipelines, such as quadratic OT. LOT restricts the search for low-cost couplings to those that have a low-nonnegative rank, yielding linear time algorithms in cases of interest. However, these promises can only be fulfilled if the LOT approach is seen as a legitimate contender to entropic regularization when compared on properties of interest, where the scorecard typically includes theoretical properties (statistical bounds, relation to other methods) or practical aspects (debiasing, hyperparameter tuning, initialization). We target each of these areas in this paper in order to cement the impact of low-rank approaches in computational OT.

Human Activity Recognition (HAR) is a relevant inference task in many mobile applications. State-of-the-art HAR at the edge is typically achieved with lightweight machine learning models such as decision trees and Random Forests (RFs), whereas deep learning is less common due to its high computational complexity. In this work, we propose a novel implementation of HAR based on deep neural networks, and precisely on Binary Neural Networks (BNNs), targeting low-power general purpose processors with a RISC-V instruction set. BNNs yield very small memory footprints and low inference complexity, thanks to the replacement of arithmetic operations with bit-wise ones. However, existing BNN implementations on general purpose processors impose constraints tailored to complex computer vision tasks, which result in over-parametrized models for simpler problems like HAR. Therefore, we also introduce a new BNN inference library, which targets ultra-compact models explicitly. With experiments on a single-core RISC-V processor, we show that BNNs trained on two HAR datasets obtain higher classification accuracy compared to a state-of-the-art baseline based on RFs. Furthermore, our BNN reaches the same accuracy of a RF with either less memory (up to 91%) or more energy-efficiency (up to 70%), depending on the complexity of the features extracted by the RF.

We present VAEL, a neuro-symbolic generative model integrating variational autoencoders (VAE) with the reasoning capabilities of probabilistic logic (L) programming. Besides standard latent subsymbolic variables, our model exploits a probabilistic logic program to define a further structured representation, which is used for logical reasoning. The entire process is end-to-end differentiable. Once trained, VAEL can solve new unseen generation tasks by (i) leveraging the previously acquired knowledge encoded in the neural component and (ii) exploiting new logical programs on the structured latent space. Our experiments provide support on the benefits of this neuro-symbolic integration both in terms of task generalization and data efficiency. To the best of our knowledge, this work is the first to propose a general-purpose end-to-end framework integrating probabilistic logic programming into a deep generative model.

As in other cybersecurity areas, machine learning (ML) techniques have emerged as a promising solution to detect Android malware. In this sense, many proposals employing a variety of algorithms and feature sets have been presented to date, often reporting impresive detection performances. However, the lack of reproducibility and the absence of a standard evaluation framework make these proposals difficult to compare. In this paper, we perform an analysis of 10 influential research works on Android malware detection using a common evaluation framework. We have identified five factors that, if not taken into account when creating datasets and designing detectors, significantly affect the trained ML models and their performances. In particular, we analyze the effect of (1) the presence of duplicated samples, (2) label (goodware/greyware/malware) attribution, (3) class imbalance, (4) the presence of apps that use evasion techniques and, (5) the evolution of apps. Based on this extensive experimentation, we conclude that the studied ML-based detectors have been evaluated optimistically, which justifies the good published results. Our findings also highlight that it is imperative to generate realistic datasets, taking into account the factors mentioned above, to enable the design and evaluation of better solutions for Android malware detection.

Algorithmic stability is a concept from learning theory that expresses the degree to which changes to the input data (e.g., removal of a single data point) may affect the outputs of a regression algorithm. Knowing an algorithm's stability properties is often useful for many downstream applications -- for example, stability is known to lead to desirable generalization properties and predictive inference guarantees. However, many modern algorithms currently used in practice are too complex for a theoretical analysis of their stability properties, and thus we can only attempt to establish these properties through an empirical exploration of the algorithm's behavior on various data sets. In this work, we lay out a formal statistical framework for this kind of "black box testing" without any assumptions on the algorithm or the data distribution, and establish fundamental bounds on the ability of any black box test to identify algorithmic stability.

A basic task in explainable AI (XAI) is to identify the most important features behind a prediction made by a black box function $f$. The insertion and deletion tests of \cite{petsiuk2018rise} are used to judge the quality of algorithms that rank pixels from most to least important for a classification. Motivated by regression problems we establish a formula for their area under the curve (AUC) criteria in terms of certain main effects and interactions in an anchored decomposition of $f$. We find an expression for the expected value of the AUC under a random ordering of inputs to $f$ and propose an alternative area above a straight line for the regression setting. We use this criterion to compare feature importances computed by integrated gradients (IG) to those computed by Kernel SHAP (KS). Exact computation of KS grows exponentially with dimension, while that of IG grows linearly with dimension. In two data sets including binary variables we find that KS is superior to IG in insertion and deletion tests, but only by a very small amount. Our comparison problems include some binary inputs that pose a challenge to IG because it must use values between the possible variable levels. We show that IG will match KS when $f$ is an additive function plus a multilinear function of the variables. This includes a multilinear interpolation over the binary variables that would cause IG to have exponential cost in a naive implementation.

This paper presents VulBERTa, a deep learning approach to detect security vulnerabilities in source code. Our approach pre-trains a RoBERTa model with a custom tokenisation pipeline on real-world code from open-source C/C++ projects. The model learns a deep knowledge representation of the code syntax and semantics, which we leverage to train vulnerability detection classifiers. We evaluate our approach on binary and multi-class vulnerability detection tasks across several datasets (Vuldeepecker, Draper, REVEAL and muVuldeepecker) and benchmarks (CodeXGLUE and D2A). The evaluation results show that VulBERTa achieves state-of-the-art performance and outperforms existing approaches across different datasets, despite its conceptual simplicity, and limited cost in terms of size of training data and number of model parameters.

Deductive reasoning (drawing conclusions from assumptions) is a challenging problem in NLP. In this work, we focus on proof generation: given a hypothesis and a set of supporting facts in natural language, the model generates a proof tree indicating how to deduce the hypothesis from supporting facts. Instead of generating the entire proof in one shot, prior work has demonstrated the promise of stepwise generation but achieved limited success on real-world data. Existing stepwise methods struggle to generate proof steps that are both valid and relevant. In this paper, we present a novel stepwise method NLProofS (Natural Language Proof Search), which learns to generate relevant steps conditioning on the hypothesis. At the core of our approach, we train an independent verifier to check the validity of proof steps. Instead of generating steps greedily, we search for proofs maximizing a global proof score judged by the verifier. NLProofS achieves state-of-the-art performance on EntailmentBank and RuleTaker. For example, it improves the percentage of correctly predicted proofs from 20.9% to 33.3% in the distractor setting of EntailmentBank. This is the first time stepwise methods have led to better generation of challenging human-authored proofs.

Although recent neural text-to-speech (TTS) systems have achieved high-quality speech synthesis, there are cases where a TTS system generates low-quality speech, mainly caused by limited training data or information loss during knowledge distillation. Therefore, we propose a novel method to improve speech quality by training a TTS model under the supervision of perceptual loss, which measures the distance between the maximum possible speech quality score and the predicted one. We first pre-train a mean opinion score (MOS) prediction model and then train a TTS model to maximize the MOS of synthesized speech using the pre-trained MOS prediction model. The proposed method can be applied independently regardless of the TTS model architecture or the cause of speech quality degradation and efficiently without increasing the inference time or model complexity. The evaluation results for the MOS and phone error rate demonstrate that our proposed approach improves previous models in terms of both naturalness and intelligibility.

The field of Natural Language Processing has experienced a dramatic leap in capabilities with the recent introduction of huge Language Models. Despite this success, natural language problems that involve several compounded steps are still practically unlearnable, even by the largest LMs. This complies with experimental failures for end-to-end learning of composite problems that were demonstrated in a variety of domains. An effective mitigation is to introduce intermediate supervision for solving sub-tasks of the compounded problem. Recently, several works have demonstrated high gains by taking a straightforward approach for incorporating intermediate supervision in compounded natural language problems: the sequence-to-sequence LM is fed with an augmented input, in which the decomposed tasks' labels are simply concatenated to the original input. In this paper, we prove a positive learning result that motivates these recent efforts. We show that when concatenating intermediate supervision to the input and training a sequence-to-sequence model on this modified input, unlearnable composite problems can become learnable. We show that this is true for any family of tasks which on the one hand, are unlearnable, and on the other hand, can be decomposed into a polynomial number of simple sub-tasks, each of which depends only on O(1) previous sub-task results. Beyond motivating contemporary empirical efforts for incorporating intermediate supervision in sequence-to-sequence language models, our positive theoretical result is the first of its kind in the landscape of results on the benefits of intermediate supervision for neural-network learning: Until now, all theoretical results on the subject are negative, i.e., show cases where learning is impossible without intermediate supervision, while our result is positive, showing that learning is facilitated in the presence of intermediate supervision.

Among the various aspects of algorithmic fairness studied in recent years, the tension between satisfying both \textit{sufficiency} and \textit{separation} -- e.g. the ratios of positive or negative predictive values, and false positive or false negative rates across groups -- has received much attention. Following a debate sparked by COMPAS, a criminal justice predictive system, the academic community has responded by laying out important theoretical understanding, showing that one cannot achieve both with an imperfect predictor when there is no equal distribution of labels across the groups. In this paper, we shed more light on what might be still possible beyond the impossibility -- the existence of a trade-off means we should aim to find a good balance within it. After refining the existing theoretical result, we propose an objective that aims to balance \textit{sufficiency} and \textit{separation} measures, while maintaining similar accuracy levels. We show the use of such an objective in two empirical case studies, one involving a multi-objective framework, and the other fine-tuning of a model pre-trained for accuracy. We show promising results, where better trade-offs are achieved compared to existing alternatives.

Three-dimensional (3D) urban models have gained interest because of their applications in many use-cases such as urban planning and virtual reality. However, generating these 3D representations requires LiDAR data, which are not always readily available. Thus, the applicability of automated 3D model generation algorithms is limited to a few locations. In this paper, we propose sat2pc, a deep learning architecture that predicts the point cloud of a building roof from a single 2D satellite image. Our architecture combines Chamfer distance and EMD loss, resulting in better 2D to 3D performance. We extensively evaluate our model and perform ablation studies on a building roof dataset. Our results show that sat2pc was able to outperform existing baselines by at least 18.6%. Further, we show that the predicted point cloud captures more detail and geometric characteristics than other baselines.

We propose NECA, a deep representation learning method for categorical data. Built upon the foundations of network embedding and deep unsupervised representation learning, NECA deeply embeds the intrinsic relationship among attribute values and explicitly expresses data objects with numeric vector representations. Designed specifically for categorical data, NECA can support important downstream data mining tasks, such as clustering. Extensive experimental analysis demonstrated the effectiveness of NECA.

We propose a new objective for option discovery that emphasizes the computational advantage of using options in planning. For a given set of episodic tasks and a given number of options, the objective prefers options that can be used to achieve a high return by composing few options. By composing few options, fast planning can be achieved. When faced with new tasks similar to the given ones, the discovered options are also expected to accelerate planning. Our objective extends the objective proposed by Harb et al. (2018) for the single-task setting to the multi-task setting. A closer look at Harb et al.'s objective shows that the best options discovered given one task are not likely to be useful for future unseen tasks and that the multi-task setting is indeed necessary for this purpose. In the same paper, Harb et al. also proposed an algorithm to optimize their objective, and the algorithm can be naturally extended to the multi-task setting. We empirically show that in the four-room domain the extension does not achieve a high objective value and propose a new algorithm that better optimizes the proposed objective. In the same four-room domain, we show that 1) a higher objective value is typically associated with options with which fewer planning iterations are needed to achieve near-optimal performance, 2) our new algorithm achieves a high objective value, which is close to the value achieved by a set of human-designed options, 3) the best number of planning iterations given the discovered options is much smaller and matches it obtained given human-designed options, and 4) the options produced by our algorithm also make intuitive sense because they move to and terminate at cells near hallways connecting two neighbor rooms.

In this paper, we use the concept of artificial risk fields to predict how human operators control a vehicle in response to upcoming road situations. A risk field assigns a non-negative risk measure to the state of the system in order to model how close that state is to violating a safety property, such as hitting an obstacle or exiting the road. Using risk fields, we construct a stochastic model of the operator that maps from states to likely actions. We demonstrate our approach on a driving task wherein human subjects are asked to drive a car inside a realistic driving simulator while avoiding obstacles placed on the road. We show that the most likely risk field given the driving data is obtained by solving a convex optimization problem. Next, we apply the inferred risk fields to generate distinct driving behaviors while comparing predicted trajectories against ground truth measurements. We observe that the risk fields are excellent at predicting future trajectory distributions with high prediction accuracy for up to twenty seconds prediction horizons. At the same time, we observe some challenges such as the inability to account for how drivers choose to accelerate/decelerate based on the road conditions.

We present a novel technique to automatically colorize grayscale images that combine the U-Net model and Fusion Layer features. This approach allows the model to learn the colorization of images from pre-trained U-Net. Moreover, the Fusion layer is applied to merge local information results dependent on small image patches with global priors of an entire image on each class, forming visually more compelling colorization results. Finally, we validate our approach with a user study evaluation and compare it against state-of-the-art, resulting in improvements.

We tackle real-world problems with complex structures beyond the pixel-based game or simulator. We formulate it as a few-shot reinforcement learning problem where a task is characterized by a subtask graph that defines a set of subtasks and their dependencies that are unknown to the agent. Different from the previous meta-rl methods trying to directly infer the unstructured task embedding, our multi-task subtask graph inferencer (MTSGI) first infers the common high-level task structure in terms of the subtask graph from the training tasks, and use it as a prior to improve the task inference in testing. Our experiment results on 2D grid-world and complex web navigation domains show that the proposed method can learn and leverage the common underlying structure of the tasks for faster adaptation to the unseen tasks than various existing algorithms such as meta reinforcement learning, hierarchical reinforcement learning, and other heuristic agents.

Recent empirical and theoretical analyses of several commonly used prediction procedures reveal a peculiar risk behavior in high dimensions, referred to as double/multiple descent, in which the asymptotic risk is a non-monotonic function of the limiting aspect ratio of the number of features or parameters to the sample size. To mitigate this undesirable behavior, we develop a general framework for risk monotonization based on cross-validation that takes as input a generic prediction procedure and returns a modified procedure whose out-of-sample prediction risk is, asymptotically, monotonic in the limiting aspect ratio. As part of our framework, we propose two data-driven methodologies, namely zero- and one-step, that are akin to bagging and boosting, respectively, and show that, under very mild assumptions, they provably achieve monotonic asymptotic risk behavior. Our results are applicable to a broad variety of prediction procedures and loss functions, and do not require a well-specified (parametric) model. We exemplify our framework with concrete analyses of the minimum $\ell_2$, $\ell_1$-norm least squares prediction procedures. As one of the ingredients in our analysis, we also derive novel additive and multiplicative forms of oracle risk inequalities for split cross-validation that are of independent interest.

We propose a two-phase systematical framework for approximation algorithm design and analysis via Lyapunov function. The first phase consists of using Lyapunov function as a guideline to design a continuous-time algorithm with provable approximation ratio. The second phase then converts the continuous-time algorithm to a discrete-time algorithm with the same approximation ratio and a provable time complexity. Some immediate benefits of the Lyapunov function approach include: (i) unifying many existing algorithms; (ii) providing a guideline to design and analyze new algorithms; and (iii) offer new perspectives to potentially improve existing algorithms. We use various submodular maximization problems as running examples to illustrate our framework.

Cross-sectional prediction is common in many domains such as healthcare, including forecasting tasks using electronic health records, where different patients form a cross-section. We focus on the task of constructing valid prediction intervals (PIs) in time-series regression with a cross-section. A prediction interval is considered valid if it covers the true response with (a pre-specified) high probability. We first distinguish between two notions of validity in such a setting: cross-sectional and longitudinal. Cross-sectional validity is concerned with validity across the cross-section of the time series data, while longitudinal validity accounts for the temporal dimension. Coverage guarantees along both these dimensions are ideally desirable; however, we show that distribution-free longitudinal validity is theoretically impossible. Despite this limitation, we propose Conformal Prediction with Temporal Dependence (CPTD), a procedure which is able to maintain strict cross-sectional validity while improving longitudinal coverage. CPTD is post-hoc and light-weight, and can easily be used in conjunction with any prediction model as long as a calibration set is available. We focus on neural networks due to their ability to model complicated data such as diagnosis codes for time-series regression, and perform extensive experimental validation to verify the efficacy of our approach. We find that CPTD outperforms baselines on a variety of datasets by improving longitudinal coverage and often providing more efficient (narrower) PIs.

The goal of the present work is to propose a way to modify both the initialization distribution of the weights of a neural network and its activation function, such that all pre-activations are Gaussian. We propose a family of pairs initialization/activation, where the activation functions span a continuum from bounded functions (such as Heaviside or tanh) to the identity function. This work is motivated by the contradiction between existing works dealing with Gaussian pre-activations: on one side, the works in the line of the Neural Tangent Kernels and the Edge of Chaos are assuming it, while on the other side, theoretical and experimental results challenge this hypothesis. The family of pairs initialization/activation we are proposing will help us to answer this hot question: is it desirable to have Gaussian pre-activations in a neural network?

At online retail platforms, it is crucial to actively detect the risks of transactions to improve customer experience and minimize financial loss. In this work, we propose xFraud, an explainable fraud transaction prediction framework which is mainly composed of a detector and an explainer. The xFraud detector can effectively and efficiently predict the legitimacy of incoming transactions. Specifically, it utilizes a heterogeneous graph neural network to learn expressive representations from the informative heterogeneously typed entities in the transaction logs. The explainer in xFraud can generate meaningful and human-understandable explanations from graphs to facilitate further processes in the business unit. In our experiments with xFraud on real transaction networks with up to 1.1 billion nodes and 3.7 billion edges, xFraud is able to outperform various baseline models in many evaluation metrics while remaining scalable in distributed settings. In addition, we show that xFraud explainer can generate reasonable explanations to significantly assist the business analysis via both quantitative and qualitative evaluations.

Understanding real-world dynamical phenomena remains a challenging task. Across various scientific disciplines, machine learning has advanced as the go-to technology to analyze nonlinear dynamical systems, identify patterns in big data, and make decision around them. Neural networks are now consistently used as universal function approximators for data with underlying mechanisms that are incompletely understood or exceedingly complex. However, neural networks alone ignore the fundamental laws of physics and often fail to make plausible predictions. Here we integrate data, physics, and uncertainties by combining neural networks, physics-informed modeling, and Bayesian inference to improve the predictive potential of traditional neural network models. We embed the physical model of a damped harmonic oscillator into a fully-connected feed-forward neural network to explore a simple and illustrative model system, the outbreak dynamics of COVID-19. Our Physics-Informed Neural Networks can seamlessly integrate data and physics, robustly solve forward and inverse problems, and perform well for both interpolation and extrapolation, even for a small amount of noisy and incomplete data. At only minor additional cost, they can self-adaptively learn the weighting between data and physics. Combined with Bayesian Neural Networks, they can serve as priors in a Bayesian Inference, and provide credible intervals for uncertainty quantification. Our study reveals the inherent advantages and disadvantages of Neural Networks, Bayesian Inference, and a combination of both and provides valuable guidelines for model selection. While we have only demonstrated these approaches for the simple model problem of a seasonal endemic infectious disease, we anticipate that the underlying concepts and trends generalize to more complex disease conditions and, more broadly, to a wide variety of nonlinear dynamical systems.

Knowledge distillation is a learning paradigm for boosting resource-efficient graph neural networks (GNNs) using more expressive yet cumbersome teacher models. Past work on distillation for GNNs proposed the Local Structure Preserving loss (LSP), which matches local structural relationships defined over edges across the student and teacher's node embeddings. This paper studies whether preserving the global topology of how the teacher embeds graph data can be a more effective distillation objective for GNNs, as real-world graphs often contain latent interactions and noisy edges. We propose Graph Contrastive Representation Distillation (G-CRD), which uses contrastive learning to implicitly preserve global topology by aligning the student node embeddings to those of the teacher in a shared representation space. Additionally, we introduce an expanded set of benchmarks on large-scale real-world datasets where the performance gap between teacher and student GNNs is non-negligible. Experiments across 4 datasets and 14 heterogeneous GNN architectures show that G-CRD consistently boosts the performance and robustness of lightweight GNNs, outperforming LSP (and a global structure preserving variant of LSP) as well as baselines from 2D computer vision. An analysis of the representational similarity among teacher and student embedding spaces reveals that G-CRD balances preserving local and global relationships, while structure preserving approaches are best at preserving one or the other.

Identifying dynamical systems from experimental data is a notably difficult task. Prior knowledge generally helps, but the extent of this knowledge varies with the application, and customized models are often needed. We propose a flexible framework to incorporate a broad spectrum of physical insight into neural ODE-based system identification, giving physical interpretability to the resulting latent space. This insight is either enforced through hard constraints in the optimization problem or added in its cost function. In order to link the partial and possibly noisy observations to the latent state, we rely on tools from nonlinear observer theory to build a recognition model. We demonstrate the performance of the proposed approach on numerical simulations and on an experimental dataset from a robotic exoskeleton.

Over the last decade, deep-learning methods have been gradually incorporated into conventional automatic speech recognition (ASR) frameworks to create acoustic, pronunciation, and language models. Although it led to significant improvements in ASRs' recognition accuracy, due to their hard constraints related to hardware requirements (e.g., computing power and memory usage), it is unclear if such approaches are the most computationally- and energy-efficient options for embedded ASR applications. Reservoir computing (RC) models (e.g., echo state networks (ESNs) and liquid state machines (LSMs)), on the other hand, have been proven inexpensive to train, have vastly fewer parameters, and are compatible with emergent hardware technologies. However, their performance in speech processing tasks is relatively inferior to that of the deep-learning-based models. To enhance the accuracy of the RC in ASR applications, we propose heterogeneous single and multi-layer ESNs to create non-linear transformations of the inputs that capture temporal context at different scales. To test our models, we performed a speech recognition task on the Farsdat Persian dataset. Since, to the best of our knowledge, standard RC has not yet been employed to conduct any Persian ASR tasks, we also trained conventional single-layer and deep ESNs to provide baselines for comparison. Besides, we compared the RC performance with a standard long-short-term memory (LSTM) model. Heterogeneous RC models (1) show improved performance to the standard RC models; (2) perform on par in terms of recognition accuracy with the LSTM, and (3) reduce the training time considerably.

We introduce FLEURS, the Few-shot Learning Evaluation of Universal Representations of Speech benchmark. FLEURS is an n-way parallel speech dataset in 102 languages built on top of the machine translation FLoRes-101 benchmark, with approximately 12 hours of speech supervision per language. FLEURS can be used for a variety of speech tasks, including Automatic Speech Recognition (ASR), Speech Language Identification (Speech LangID), Translation and Retrieval. In this paper, we provide baselines for the tasks based on multilingual pre-trained models like mSLAM. The goal of FLEURS is to enable speech technology in more languages and catalyze research in low-resource speech understanding.

Knowledge Graphs (KGs) are symbolically structured storages of facts. The KG embedding contains concise data used in NLP tasks requiring implicit information about the real world. Furthermore, the size of KGs that may be useful in actual NLP assignments is enormous, and creating embedding over it has memory cost issues. We represent KG as a 3rd-order binary tensor and move beyond the standard CP decomposition by using a data-specific generalized version of it. The generalization of the standard CP-ALS algorithm allows obtaining optimization gradients without a backpropagation mechanism. It reduces the memory needed in training while providing computational benefits. We propose a MEKER, a memory-efficient KG embedding model, which yields SOTA-comparable performance on link prediction tasks and KG-based Question Answering.

The annotation of domain experts is important for some medical applications where the objective ground truth is ambiguous to define, e.g., the rehabilitation for some chronic diseases, and the prescreening of some musculoskeletal abnormalities without further medical examinations. However, improper uses of the annotations may hinder developing reliable models. On one hand, forcing the use of a single ground truth generated from multiple annotations is less informative for the modeling. On the other hand, feeding the model with all the annotations without proper regularization is noisy given existing disagreements. For such issues, we propose a novel Learning to Agreement (Learn2Agree) framework to tackle the challenge of learning from multiple annotators without objective ground truth. The framework has two streams, with one stream fitting with the multiple annotators and the other stream learning agreement information between annotators. In particular, the agreement learning stream produces regularization information to the classifier stream, tuning its decision to be better in line with the agreement between annotators. The proposed method can be easily added to existing backbones, with experiments on two medical datasets showed better agreement levels with annotators.

We present a Parametrization of the Physics Informed Neural Network (P-PINN) approach to tackle the problem of uncertainty quantification in reservoir engineering problems. We demonstrate the approach with the immiscible two phase flow displacement (Buckley-Leverett problem) in heterogeneous porous medium. The reservoir properties (porosity, permeability) are treated as random variables. The distribution of these properties can affect dynamic properties such as the fluids saturation, front propagation speed or breakthrough time. We explore and use to our advantage the ability of networks to interpolate complex high dimensional functions. We observe that the additional dimensions resulting from a stochastic treatment of the partial differential equations tend to produce smoother solutions on quantities of interest (distributions parameters) which is shown to improve the performance of PINNS. We show that provided a proper parameterization of the uncertainty space, PINN can produce solutions that match closely both the ensemble realizations and the stochastic moments. We demonstrate applications for both homogeneous and heterogeneous fields of properties. We are able to solve problems that can be challenging for classical methods. This approach gives rise to trained models that are both more robust to variations in the input space and can compete in performance with traditional stochastic sampling methods.

Gradient descent or its variants are popular in training neural networks. However, in deep Q-learning with neural network approximation, a type of reinforcement learning, gradient descent (also known as Residual Gradient (RG)) is barely used to solve Bellman residual minimization problem. On the contrary, Temporal Difference (TD), an incomplete gradient descent method prevails. In this work, we perform extensive experiments to show that TD outperforms RG, that is, when the training leads to a small Bellman residual error, the solution found by TD has a better policy and is more robust against the perturbation of neural network parameters. We further use experiments to reveal a key difference between reinforcement learning and supervised learning, that is, a small Bellman residual error can correspond to a bad policy in reinforcement learning while the test loss function in supervised learning is a standard index to indicate the performance. We also empirically examine that the missing term in TD is a key reason why RG performs badly. Our work shows that the performance of a deep Q-learning solution is closely related to the training dynamics and how an incomplete gradient descent method can find a good policy is interesting for future study.

Functional magnetic resonance imaging (fMRI) is one of the most common imaging modalities to investigate brain functions. Recent studies in neuroscience stress the great potential of functional brain networks constructed from fMRI data for clinical predictions. Traditional functional brain networks, however, are noisy and unaware of downstream prediction tasks, while also incompatible with the deep graph neural network (GNN) models. In order to fully unleash the power of GNNs in network-based fMRI analysis, we develop FBNETGEN, a task-aware and interpretable fMRI analysis framework via deep brain network generation. In particular, we formulate (1) prominent region of interest (ROI) features extraction, (2) brain networks generation, and (3) clinical predictions with GNNs, in an end-to-end trainable model under the guidance of particular prediction tasks. Along with the process, the key novel component is the graph generator which learns to transform raw time-series features into task-oriented brain networks. Our learnable graphs also provide unique interpretations by highlighting prediction-related brain regions. Comprehensive experiments on two datasets, i.e., the recently released and currently largest publicly available fMRI dataset Adolescent Brain Cognitive Development (ABCD), and the widely-used fMRI dataset PNC, prove the superior effectiveness and interpretability of FBNETGEN. The implementation is available at https://github.com/Wayfear/FBNETGEN.}

In online advertising, it is highly important to predict the probability and the value of a conversion (e.g., a purchase). It not only impacts user experience by showing relevant ads, but also affects ROI of advertisers and revenue of marketplaces. Unlike clicks, which often occur within minutes after impressions, conversions are expected to happen over a long period of time (e.g., 30 days for online shopping). It creates a challenge, as the true labels are only available after the long delays. Either inaccurate labels (partial conversions) are used, or models are trained on stale data (e.g., from 30 days ago). The problem is more eminent in online learning, which focuses on the live performance on the latest data. In this paper, a novel solution is presented to address this challenge using multi-head modeling. Unlike traditional methods, it directly quantizes conversions into multiple windows, such as day 1, day 2, day 3-7, and day 8-30. A sub-model is trained specifically on conversions within each window. Label freshness is maximally preserved in early models (e.g., day 1 and day 2), while late conversions are accurately utilized in models with longer delays (e.g., day 8-30). It is shown to greatly exceed the performance of known methods in online learning experiments for both conversion rate (CVR) and value per click (VPC) predictions. Lastly, as a general method for delayed feedback modeling, it can be combined with any advanced ML techniques to further improve the performance.

Privacy-preserving is a key problem for the machine learning algorithm. Spiking neural network (SNN) plays an important role in many domains, such as image classification, object detection, and speech recognition, but the study on the privacy protection of SNN is urgently needed. This study combines the differential privacy (DP) algorithm and SNN and proposes differentially private spiking neural network (DPSNN). DP injects noise into the gradient, and SNN transmits information in discrete spike trains so that our differentially private SNN can maintain strong privacy protection while still ensuring high accuracy. We conducted experiments on MNIST, Fashion-MNIST, and the face recognition dataset Extended YaleB. When the privacy protection is improved, the accuracy of the artificial neural network(ANN) drops significantly, but our algorithm shows little change in performance. Meanwhile, we analyzed different factors that affect the privacy protection of SNN. Firstly, the less precise the surrogate gradient is, the better the privacy protection of the SNN. Secondly, the Integrate-And-Fire (IF) neurons perform better than leaky Integrate-And-Fire (LIF) neurons. Thirdly, a large time window contributes more to privacy protection and performance.

In the survey we consider the case studies on sales time series forecasting, the deep learning approach for forecasting non-stationary time series using time trend correction, dynamic price and supply optimization using Q-learning, Bitcoin price modeling, COVID-19 spread impact on stock market, using social networks signals in analytics. The use of machine learning and Bayesian inference in predictive analytics has been analyzed.

The Variational Quantum Eigensolver (VQE) is a promising candidate for quantum applications on near-term Noisy Intermediate-Scale Quantum (NISQ) computers. Despite a lot of empirical studies and recent progress in theoretical understanding of VQE's optimization landscape, the convergence for optimizing VQE is far less understood. We provide the first rigorous analysis of the convergence of VQEs in the over-parameterization regime. By connecting the training dynamics with the Riemannian Gradient Flow on the unit-sphere, we establish a threshold on the sufficient number of parameters for efficient convergence, which depends polynomially on the system dimension and the spectral ratio, a property of the problem Hamiltonian, and could be resilient to gradient noise to some extent. We further illustrate that this overparameterization threshold could be vastly reduced for specific VQE instances by establishing an ansatz-dependent threshold paralleling our main result. We showcase that our ansatz-dependent threshold could serve as a proxy of the trainability of different VQE ansatzes without performing empirical experiments, which hence leads to a principled way of evaluating ansatz design. Finally, we conclude with a comprehensive empirical study that supports our theoretical findings.

Learning effective recipe representations is essential in food studies. Unlike what has been developed for image-based recipe retrieval or learning structural text embeddings, the combined effect of multi-modal information (i.e., recipe images, text, and relation data) receives less attention. In this paper, we formalize the problem of multi-modal recipe representation learning to integrate the visual, textual, and relational information into recipe embeddings. In particular, we first present Large-RG, a new recipe graph data with over half a million nodes, making it the largest recipe graph to date. We then propose Recipe2Vec, a novel graph neural network based recipe embedding model to capture multi-modal information. Additionally, we introduce an adversarial attack strategy to ensure stable learning and improve performance. Finally, we design a joint objective function of node classification and adversarial learning to optimize the model. Extensive experiments demonstrate that Recipe2Vec outperforms state-of-the-art baselines on two classic food study tasks, i.e., cuisine category classification and region prediction. Dataset and codes are available at https://github.com/meettyj/Recipe2Vec.

The AlphaZero algorithm and its successor MuZero have revolutionised several competitive strategy games, including chess, Go, and shogi and video games like Atari, by learning to play these games better than any human and any specialised computer program. Aside from knowing the rules, AlphaZero had no prior knowledge of each game. This dramatically advanced progress on a long-standing AI challenge to create programs that can learn for themselves from first principles. Theoretically, there are well-known limits to the power of deep learning for strategy games like chess, Go, and shogi, as they are known to be NEXPTIME hard. Some papers have argued that the AlphaZero methodology has limitations and is unsuitable for general AI. However, none of these works has suggested any specific limits for any particular game. In this paper, we provide more powerful bottlenecks than previously suggested. We present the first concrete example of a game - namely the (children) game of nim - and other impartial games that seem to be a stumbling block for AlphaZero and similar reinforcement learning algorithms. We show experimentally that the bottlenecks apply to both the policy and value networks. Since solving nim can be done in linear time using logarithmic space i.e. has very low-complexity, our experimental results supersede known theoretical limits based on many games' PSPACE (and NEXPTIME) completeness. We show that nim can be learned on small boards, but when the board size increases, AlphaZero style algorithms rapidly fail to improve. We quantify the difficulties for various setups, parameter settings and computational resources. Our results might help expand the AlphaZero self-play paradigm by allowing it to use meta-actions during training and/or actual game play like applying abstract transformations, or reading and writing to an external memory.

Visual dialog (VisDial) is a task of answering a sequence of questions grounded in an image, using the dialog history as context. Prior work has trained the dialog agents solely on VisDial data via supervised learning or leveraged pre-training on related vision-and-language datasets. This paper presents a semi-supervised learning approach for visually-grounded dialog, called Generative Self-Training (GST), to leverage unlabeled images on the Web. Specifically, GST first retrieves in-domain images through out-of-distribution detection and generates synthetic dialogs regarding the images via multimodal conditional text generation. GST then trains a dialog agent on the synthetic and the original VisDial data. As a result, GST scales the amount of training data up to an order of magnitude that of VisDial (1.2M to 12.9M QA data). For robust training of the generated dialogs, we also propose perplexity-based data selection and multimodal consistency regularization. Evaluation on VisDial v1.0 and v0.9 datasets shows that GST achieves new state-of-the-art results on both datasets. We further observe strong performance gains in the low-data regime (up to 9.35 absolute points on NDCG).

Retrieval based open-domain QA systems use retrieved documents and answer-span selection over retrieved documents to find best-answer candidates. We hypothesize that multilingual Question Answering (QA) systems are prone to information inconsistency when it comes to documents written in different languages, because these documents tend to provide a model with varying information about the same topic. To understand the effects of the biased availability of information and cultural influence, we analyze the behavior of multilingual open-domain question answering models with a focus on retrieval bias. We analyze if different retriever models present different passages given the same question in different languages on TyDi QA and XOR-TyDi QA, two multilingualQA datasets. We speculate that the content differences in documents across languages might reflect cultural divergences and/or social biases.

Understanding the black-box representations in Deep Neural Networks (DNN) is an essential problem in deep learning. In this work, we propose Graph-Based Similarity (GBS) to measure the similarity of layer features. Contrary to previous works that compute the similarity directly on the feature maps, GBS measures the correlation based on the graph constructed with hidden layer outputs. By treating each input sample as a node and the corresponding layer output similarity as edges, we construct the graph of DNN representations for each layer. The similarity between graphs of layers identifies the correspondences between representations of models trained in different datasets and initializations. We demonstrate and prove the invariance property of GBS, including invariance to orthogonal transformation and invariance to isotropic scaling, and compare GBS with CKA. GBS shows state-of-the-art performance in reflecting the similarity and provides insights on explaining the adversarial sample behavior on the hidden layer space.

Recent arguments that machine learning (ML) is facing a reproducibility and replication crisis suggest that some published claims in ML research cannot be taken at face value. These concerns inspire analogies to the replication crisis affecting the social and medical sciences. They also inspire calls for the integration of statistical approaches to causal inference and predictive modeling. A deeper understanding of what reproducibility concerns in supervised ML research have in common with the replication crisis in experimental science puts the new concerns in perspective, and helps researchers avoid "the worst of both worlds," where ML researchers begin borrowing methodologies from explanatory modeling without understanding their limitations and vice versa. We contribute a comparative analysis of concerns about inductive learning that arise in causal attribution as exemplified in psychology versus predictive modeling as exemplified in ML. We identify themes that re-occur in reform discussions, like overreliance on asymptotic theory and non-credible beliefs about real-world data generating processes. We argue that in both fields, claims from learning are implied to generalize outside the specific environment studied (e.g., the input dataset or subject sample, modeling implementation, etc.) but are often impossible to refute due to undisclosed sources of variance in the learning pipeline. In particular, errors being acknowledged in ML expose cracks in long-held beliefs that optimizing predictive accuracy using huge datasets absolves one from having to consider a true data generating process or formally represent uncertainty in performance claims. We conclude by discussing risks that arise when sources of errors are misdiagnosed and the need to acknowledge the role of human inductive biases in learning and reform.

An often neglected issue in multi-agent reinforcement learning (MARL) is the potential presence of unreliable agents in the environment whose deviations from expected behavior can prevent a system from accomplishing its intended tasks. In particular, consensus is a fundamental underpinning problem of cooperative distributed multi-agent systems. Consensus requires different agents, situated in a decentralized communication network, to reach an agreement out of a set of initial proposals that they put forward. Learning-based agents should adopt a protocol that allows them to reach consensus despite having one or more unreliable agents in the system. This paper investigates the problem of unreliable agents in MARL, considering consensus as case study. Echoing established results in the distributed systems literature, our experiments show that even a moderate fraction of such agents can greatly impact the ability of reaching consensus in a networked environment. We propose Reinforcement Learning-based Trusted Consensus (RLTC), a decentralized trust mechanism, in which agents can independently decide which neighbors to communicate with. We empirically demonstrate that our trust mechanism is able to deal with unreliable agents effectively, as evidenced by higher consensus success rates.

This paper introduces MGX, a near-zero overhead memory protection scheme for hardware accelerators. MGX minimizes the performance overhead of off-chip memory encryption and integrity verification by exploiting the application-specific properties of the accelerator execution. In particular, accelerators tend to explicitly manage data movement between on-chip and off-chip memories. Therefore, the general memory access pattern of an accelerator can largely be determined for a given application. Exploiting these characteristics, MGX generates version numbers used in memory encryption and integrity verification using on-chip accelerator state rather than storing them in the off-chip memory; it also customizes the granularity of the memory protection to match the granularity used by the accelerator. To demonstrate the efficacy of MGX, we present an in-depth study of MGX for DNN and graph algorithms. Experimental results show that on average, MGX lowers the performance overhead of memory protection from 28% and 33% to 4% and 5% for DNN and graph processing accelerators in a wide range of benchmarks, respectively.

Prompting has shown impressive success in enabling large pretrained language models (LMs) to perform diverse NLP tasks, especially when only few downstream data are available. Automatically finding the optimal prompt for each task, however, is challenging. Most existing work resorts to tuning soft prompt (e.g., embeddings) which falls short of interpretability, reusability across LMs, and applicability when gradients are not accessible. Discrete prompt, on the other hand, is difficult to optimize, and is often created by "enumeration (e.g., paraphrasing)-then-selection" heuristics that do not explore the prompt space systematically. This paper proposes RLPrompt, an efficient discrete prompt optimization approach with reinforcement learning (RL). RLPrompt formulates a parameter-efficient policy network that generates the desired discrete prompt after training with reward. To overcome the complexity and stochasticity of reward signals by the large LM environment, we incorporate effective reward stabilization that substantially enhances the training efficiency. RLPrompt is flexibly applicable to different types of LMs, such as masked (e.g., BERT) and left-to-right models (e.g., GPTs), for both classification and generation tasks. Experiments on few-shot classification and unsupervised text style transfer show superior performance over a wide range of existing finetuning or prompting methods. Interestingly, the resulting optimized prompts are often ungrammatical gibberish text; and surprisingly, those gibberish prompts are transferrable between different LMs to retain significant performance, indicating LM prompting may not follow human language patterns.

Knowledge Distillation (KD) is a prominent neural model compression technique which heavily relies on teacher network predictions to guide the training of a student model. Considering the ever-growing size of pre-trained language models (PLMs), KD is often adopted in many NLP tasks involving PLMs. However, it is evident that in KD, deploying the teacher network during training adds to the memory and computational requirements of training. In the computer vision literature, the necessity of the teacher network is put under scrutiny by showing that KD is a label regularization technique that can be replaced with lighter teacher-free variants such as the label-smoothing technique. However, to the best of our knowledge, this issue is not investigated in NLP. Therefore, this work concerns studying different label regularization techniques and whether we actually need the teacher labels to fine-tune smaller PLM student networks on downstream tasks. In this regard, we did a comprehensive set of experiments on different PLMs such as BERT, RoBERTa, and GPT with more than 600 distinct trials and ran each configuration five times. This investigation led to a surprising observation that KD and other label regularization techniques do not play any meaningful role over regular fine-tuning when the student model is pre-trained. We further explore this phenomenon in different settings of NLP and computer vision tasks and demonstrate that pre-training itself acts as a kind of regularization, and additional label regularization is unnecessary.

Active speaker detection (ASD) and virtual cinematography (VC) can significantly improve the remote user experience of a video conference by automatically panning, tilting and zooming of a video conferencing camera: users subjectively rate an expert video cinematographer's video significantly higher than unedited video. We describe a new automated ASD and VC that performs within 0.3 MOS of an expert cinematographer based on subjective ratings with a 1-5 scale. This system uses a 4K wide-FOV camera, a depth camera, and a microphone array; it extracts features from each modality and trains an ASD using an AdaBoost machine learning system that is very efficient and runs in real-time. A VC is similarly trained using machine learning to optimize the subjective quality of the overall experience. To avoid distracting the room participants and reduce switching latency the system has no moving parts -- the VC works by cropping and zooming the 4K wide-FOV video stream. The system was tuned and evaluated using extensive crowdsourcing techniques and evaluated on a dataset with N=100 meetings, each 2-5 minutes in length.

Tree-structured multi-task architectures have been employed to jointly tackle multiple vision tasks in the context of multi-task learning (MTL). The major challenge is to determine where to branch out for each task given a backbone model to optimize for both task accuracy and computation efficiency. To address the challenge, this paper proposes a recommender that, given a set of tasks and a convolutional neural network-based backbone model, automatically suggests tree-structured multi-task architectures that could achieve a high task performance while meeting a user-specified computation budget without performing model training. Extensive evaluations on popular MTL benchmarks show that the recommended architectures could achieve competitive task accuracy and computation efficiency compared with state-of-the-art MTL methods. Our tree-structured multi-task model recommender is open-sourced and available at https://github.com/zhanglijun95/TreeMTL.

This work reports deep-learning-unique first-order and second-order phase transitions, whose phenomenology closely follows that in statistical physics. In particular, we prove that the competition between prediction error and model complexity in the training loss leads to the second-order phase transition for nets with one hidden layer and the first-order phase transition for nets with more than one hidden layer. The proposed theory is directly relevant to the optimization of neural networks and points to an origin of the posterior collapse problem in Bayesian deep learning.

Realtime model learning proves challenging for complex dynamical systems, such as drones flying in variable wind conditions. Machine learning technique such as deep neural networks have high representation power but is often too slow to update onboard. On the other hand, adaptive control relies on simple linear parameter models can update as fast as the feedback control loop. We propose an online composite adaptation method that treats outputs from a deep neural network as a set of basis functions capable of representing different wind conditions. To help with training, meta-learning techniques are used to optimize the network output useful for adaptation. We validate our approach by flying a drone in an open air wind tunnel under varying wind conditions and along challenging trajectories. We compare the result with other adaptive controller with different basis function sets and show improvement over tracking and prediction errors.

Multiclass probability estimation is the problem of estimating conditional probabilities of a data point belonging to a class given its covariate information. It has broad applications in statistical analysis and data science. Recently a class of weighted Support Vector Machines (wSVMs) have been developed to estimate class probabilities through ensemble learning for $K$-class problems (Wang, Shen and Liu, 2008; Wang, Zhang and Wu, 2019), where $K$ is the number of classes. The estimators are robust and achieve high accuracy for probability estimation, but their learning is implemented through pairwise coupling, which demand polynomial time in $K$. In this paper, we propose two new learning schemes, the baseline learning and the One-vs-All (OVA) learning, to further improve wSVMs in terms of computational efficiency and estimation accuracy. In particular, the baseline learning has optimal computational complexity in the sense that it is linear in $K$. The resulting estimators are distribution-free and shown to be consistent. We further conduct extensive numerical experiments to demonstrate finite sample performance.

Large language models are shown to present privacy risks through memorization of training data, and several recent works have studied such risks for the pre-training phase. Little attention, however, has been given to the fine-tuning phase and it is not well understood how different fine-tuning methods (such as fine-tuning the full model, the model head, and adapter) compare in terms of memorization risk. This presents increasing concern as the "pre-train and fine-tune" paradigm proliferates. In this paper, we empirically study memorization of fine-tuning methods using membership inference and extraction attacks, and show that their susceptibility to attacks is very different. We observe that fine-tuning the head of the model has the highest susceptibility to attacks, whereas fine-tuning smaller adapters appears to be less vulnerable to known extraction attacks.

In order to address increasing demands of real-world applications, the research for knowledge-intensive NLP (KI-NLP) should advance by capturing the challenges of a truly open-domain environment: web-scale knowledge, lack of structure, inconsistent quality and noise. To this end, we propose a new setup for evaluating existing knowledge intensive tasks in which we generalize the background corpus to a universal web snapshot. We investigate a slate of NLP tasks which rely on knowledge - either factual or common sense, and ask systems to use a subset of CCNet - the Sphere corpus - as a knowledge source. In contrast to Wikipedia, otherwise a common background corpus in KI-NLP, Sphere is orders of magnitude larger and better reflects the full diversity of knowledge on the web. Despite potential gaps in coverage, challenges of scale, lack of structure and lower quality, we find that retrieval from Sphere enables a state of the art system to match and even outperform Wikipedia-based models on several tasks. We also observe that while a dense index can outperform a sparse BM25 baseline on Wikipedia, on Sphere this is not yet possible. To facilitate further research and minimise the community's reliance on proprietary, black-box search engines, we share our indices, evaluation metrics and infrastructure.

Cellular sheaves equip graphs with a "geometrical" structure by assigning vector spaces and linear maps to nodes and edges. Graph Neural Networks (GNNs) implicitly assume a graph with a trivial underlying sheaf. This choice is reflected in the structure of the graph Laplacian operator, the properties of the associated diffusion equation, and the characteristics of the convolutional models that discretise this equation. In this paper, we use cellular sheaf theory to show that the underlying geometry of the graph is deeply linked with the performance of GNNs in heterophilic settings and their oversmoothing behaviour. By considering a hierarchy of increasingly general sheaves, we study how the ability of the sheaf diffusion process to achieve linear separation of the classes in the infinite time limit expands. At the same time, we prove that when the sheaf is non-trivial, discretised parametric diffusion processes have greater control than GNNs over their asymptotic behaviour. On the practical side, we study how sheaves can be learned from data. The resulting sheaf diffusion models have many desirable properties that address the limitations of classical graph diffusion equations (and corresponding GNN models) and obtain state-of-the-art results in heterophilic settings. Overall, our work provides new connections between GNNs and algebraic topology and would be of interest to both fields.

Recent work has improved language models remarkably by equipping them with a non-parametric memory component. However, most existing approaches only introduce memories at testing time, or represent them using a separately trained encoder -- resulting in sub-optimal training of the language model. In this work, we present TRIME, a novel yet simple training approach designed for training language models with memory augmentation. Our approach uses a training objective that directly takes in-batch examples as accessible memory. We also present new methods for memory construction and data batching, which are used for adapting to different sets of memories -- local, long-term, and external memory -- at testing time. We evaluate our approach on multiple language modeling and machine translation benchmarks. We find that simply replacing the vanilla language modeling objective by ours greatly reduces the perplexity, without modifying the model architecture or incorporating extra context (e.g., 18.70 $\to$ 17.76 on WikiText-103). We further augment language models with long-range contexts and external knowledge and demonstrate significant gains over previous memory-augmented approaches.

Recent advances have shown that SNN-based systems can efficiently perform unsupervised continual learning due to their bio-plausible learning rule, e.g., Spike-Timing-Dependent Plasticity (STDP). Such learning capabilities are especially beneficial for use cases like autonomous agents (e.g., robots and UAVs) that need to continuously adapt to dynamically changing scenarios/environments, where new data gathered directly from the environment may have novel features that should be learned online. Current state-of-the-art works employ high-precision weights (i.e., 32 bit) for both training and inference phases, which pose high memory and energy costs thereby hindering efficient embedded implementations of such systems for battery-driven mobile autonomous systems. On the other hand, precision reduction may jeopardize the quality of unsupervised continual learning due to information loss. Towards this, we propose lpSpikeCon, a novel methodology to enable low-precision SNN processing for efficient unsupervised continual learning on resource-constrained autonomous agents/systems. Our lpSpikeCon methodology employs the following key steps: (1) analyzing the impacts of training the SNN model under unsupervised continual learning settings with reduced weight precision on the inference accuracy; (2) leveraging this study to identify SNN parameters that have a significant impact on the inference accuracy; and (3) developing an algorithm for searching the respective SNN parameter values that improve the quality of unsupervised continual learning. The experimental results show that our lpSpikeCon can reduce weight memory of the SNN model by 8x (i.e., by judiciously employing 4-bit weights) for performing online training with unsupervised continual learning and achieve no accuracy loss in the inference phase, as compared to the baseline model with 32-bit weights across different network sizes.

It is widely accepted in the mode connectivity literature that when two neural networks are trained similarly on the same data, they are connected by a path through parameter space over which test set accuracy is maintained. Under some circumstances, including transfer learning from pretrained models, these paths are presumed to be linear. In contrast to existing results, we find that among text classifiers (trained on MNLI, QQP, and CoLA), some pairs of finetuned models have large barriers of increasing loss on the linear paths between them. On each task, we find distinct clusters of models which are linearly connected on the test loss surface, but are disconnected from models outside the cluster -- models that occupy separate basins on the surface. By measuring performance on specially-crafted diagnostic datasets, we find that these clusters correspond to different generalization strategies: one cluster behaves like a bag of words model under domain shift, while another cluster uses syntactic heuristics. Our work demonstrates how the geometry of the loss surface can guide models towards different heuristic functions.

The ability to forecast far into the future is highly beneficial to many applications, including but not limited to climatology, energy consumption, and logistics. However, due to noise or measurement error, it is questionable how far into the future one can reasonably predict. In this paper, we first mathematically show that due to error accumulation, sophisticated models might not outperform baseline models for long-term forecasting. To demonstrate, we show that a non-parametric baseline model based on periodicity can actually achieve comparable performance to a state-of-the-art Transformer-based model on various datasets. We further propose FreDo, a frequency domain-based neural network model that is built on top of the baseline model to enhance its performance and which greatly outperforms the state-of-the-art model. Finally, we validate that the frequency domain is indeed better by comparing univariate models trained in the frequency v.s. time domain.

This article aims to propose and apply a machine learning method to analyze the direction of returns from Exchange Traded Funds (ETFs) using the historical return data of its components, helping to make investment strategy decisions through a trading algorithm. In methodological terms, regression and classification models were applied, using standard datasets from Brazilian and American markets, in addition to algorithmic error metrics. In terms of research results, they were analyzed and compared to those of the Na\"ive forecast and the returns obtained by the buy & hold technique in the same period of time. In terms of risk and return, the models mostly performed better than the control metrics, with emphasis on the linear regression model and the classification models by logistic regression, support vector machine (using the LinearSVC model), Gaussian Naive Bayes and K-Nearest Neighbors, where in certain datasets the returns exceeded by two times and the Sharpe ratio by up to four times those of the buy & hold control model.

We propose a fundamental theory on ensemble learning that evaluates a given ensemble system by a well-grounded set of metrics. Previous studies used a variant of Fano's inequality of information theory and derived a lower bound of the classification error rate on the basis of the accuracy and diversity of models. We revisit the original Fano's inequality and argue that the studies did not take into account the information lost when multiple model predictions are combined into a final prediction. To address this issue, we generalize the previous theory to incorporate the information loss. Further, we empirically validate and demonstrate the proposed theory through extensive experiments on actual systems. The theory reveals the strengths and weaknesses of systems on each metric, which will push the theoretical understanding of ensemble learning and give us insights into designing systems.

The ability to scale out training workloads has been one of the key performance enablers of deep learning. The main scaling approach is data-parallel GPU-based training, which has been boosted by hardware and software support for highly efficient point-to-point communication, and in particular via hardware bandwidth overprovisioning. Overprovisioning comes at a cost: there is an order of magnitude price difference between "cloud-grade" servers with such support, relative to their popular "consumer-grade" counterparts, although single server-grade and consumer-grade GPUs can have similar computational envelopes. In this paper, we show that the costly hardware overprovisioning approach can be supplanted via algorithmic and system design, and propose a framework called CGX, which provides efficient software support for compressed communication in ML applications, for both multi-GPU single-node training, as well as larger-scale multi-node training. CGX is based on two technical advances: \emph{At the system level}, it relies on a re-developed communication stack for ML frameworks, which provides flexible, highly-efficient support for compressed communication. \emph{At the application level}, it provides \emph{seamless, parameter-free} integration with popular frameworks, so that end-users do not have to modify training recipes, nor significant training code. This is complemented by a \emph{layer-wise adaptive compression} technique which dynamically balances compression gains with accuracy preservation. CGX integrates with popular ML frameworks, providing up to 3X speedups for multi-GPU nodes based on commodity hardware, and order-of-magnitude improvements in the multi-node setting, with negligible impact on accuracy.

We investigate the usage of a Schlieren imaging setup to measure the geometrical dimensions of a plasma channel in atomic vapor. Near resonant probe light is used to image the plasma channel in a tenuous vapor and machine learning techniques are tested for extracting quantitative information from the images. By building a database of simulated signals with a range of plasma parameters for training Deep Neural Networks, we demonstrate that they can extract from the Schlieren images reliably and with high accuracy the location, the radius and the maximum ionization fraction of the plasma channel as well as the width of the transition region between the core of the plasma channel and the unionized vapor. We test several different neural network architectures with supervised learning and show that the parameter estimations supplied by the networks are resilient with respect to slight changes of the experimental parameters that may occur in the course of a measurement.

Detecting changes in data streams is a core objective in their analysis and has applications in, say, predictive maintenance, fraud detection, and medicine. A principled approach to detect changes is to compare distributions observed within the stream to each other. However, data streams often are high-dimensional, and changes can be complex, e.g., only manifest themselves in higher moments. The streaming setting also imposes heavy memory and computation restrictions. We propose an algorithm, Maximum Mean Discrepancy Adaptive Windowing (MMDAW), which leverages the well-known Maximum Mean Discrepancy (MMD) two-sample test, and facilitates its efficient online computation on windows whose size it flexibly adapts. As MMD is sensitive to any change in the underlying distribution, our algorithm is a general-purpose non-parametric change detector that fulfills the requirements imposed by the streaming setting. Our experiments show that MMDAW achieves better detection quality than state-of-the-art competitors.

How can we train an assistive human-machine interface (e.g., an electromyography-based limb prosthesis) to translate a user's raw command signals into the actions of a robot or computer when there is no prior mapping, we cannot ask the user for supervision in the form of action labels or reward feedback, and we do not have prior knowledge of the tasks the user is trying to accomplish? The key idea in this paper is that, regardless of the task, when an interface is more intuitive, the user's commands are less noisy. We formalize this idea as a completely unsupervised objective for optimizing interfaces: the mutual information between the user's command signals and the induced state transitions in the environment. To evaluate whether this mutual information score can distinguish between effective and ineffective interfaces, we conduct an observational study on 540K examples of users operating various keyboard and eye gaze interfaces for typing, controlling simulated robots, and playing video games. The results show that our mutual information scores are predictive of the ground-truth task completion metrics in a variety of domains, with an average Spearman's rank correlation of 0.43. In addition to offline evaluation of existing interfaces, we use our unsupervised objective to learn an interface from scratch: we randomly initialize the interface, have the user attempt to perform their desired tasks using the interface, measure the mutual information score, and update the interface to maximize mutual information through reinforcement learning. We evaluate our method through a user study with 12 participants who perform a 2D cursor control task using a perturbed mouse, and an experiment with one user playing the Lunar Lander game using hand gestures. The results show that we can learn an interface from scratch, without any user supervision or prior knowledge of tasks, in under 30 minutes.

The performance of machine learning models under distribution shift has been the focus of the community in recent years. Most of current methods have been proposed to improve the robustness to distribution shift from the algorithmic perspective, i.e., designing better training algorithms to help the generalization in shifted test distributions. This paper studies the distribution shift problem from the perspective of pre-training and data augmentation, two important factors in the practice of deep learning that have not been systematically investigated by existing work. By evaluating seven pre-trained models, including ResNets and ViT's with self-supervision and supervision mode, on five important distribution-shift datasets, from WILDS and DomainBed benchmarks, with five different learning algorithms, we provide the first comprehensive empirical study focusing on pre-training and data augmentation. With our empirical result obtained from 1,330 models, we provide the following main observations: 1) ERM combined with data augmentation can achieve state-of-the-art performance if we choose a proper pre-trained model respecting the data property; 2) specialized algorithms further improve the robustness on top of ERM when handling a specific type of distribution shift, e.g., GroupDRO for spurious correlation and CORAL for large-scale out-of-distribution data; 3) Comparing different pre-training modes, architectures and data sizes, we provide novel observations about pre-training on distribution shift, which sheds light on designing or selecting pre-training strategy for different kinds of distribution shifts. In summary, our empirical study provides a comprehensive baseline for a wide range of pre-training models fine-tuned with data augmentation, which potentially inspires research exploiting the power of pre-training and data augmentation in the future of distribution shift study.

Multitask learning assumes that models capable of learning from multiple tasks can achieve better quality and efficiency via knowledge transfer, a key feature of human learning. Though, state of the art ML models rely on high customization for each task and leverage size and data scale rather than scaling the number of tasks. Also, continual learning, that adds the temporal aspect to multitask, is often focused to the study of common pitfalls such as catastrophic forgetting instead of being studied at a large scale as a critical component to build the next generation artificial intelligence. We propose an evolutionary method that can generate a large scale multitask model, and can support the dynamic and continuous addition of new tasks. The generated multitask model is sparsely activated and integrates a task-based routing that guarantees bounded compute cost and fewer added parameters per task as the model expands. The proposed method relies on a knowledge compartmentalization technique to achieve immunity against catastrophic forgetting and other common pitfalls such as gradient interference and negative transfer. We empirically show that the proposed method can jointly solve and achieve competitive results on 69image classification tasks, for example achieving the best test accuracy reported fora model trained only on public data for competitive tasks such as cifar10: 99.43%.

Deep neural network (DNN) latency characterization is a time-consuming process and adds significant cost to Neural Architecture Search (NAS) processes when searching for efficient convolutional neural networks for embedded vision applications. DNN Latency is a hardware dependent metric and requires direct measurement or inference on target hardware. A recently introduced latency estimation technique known as MAPLE predicts DNN execution time on previously unseen hardware devices by using hardware performance counters. Leveraging these hardware counters in the form of an implicit prior, MAPLE achieves state-of-the-art performance in latency prediction. Here, we propose MAPLE-X which extends MAPLE by incorporating explicit prior knowledge of hardware devices and DNN architecture latency to better account for model stability and robustness. First, by identifying DNN architectures that exhibit a similar latency to each other, we can generate multiple virtual examples to significantly improve the accuracy over MAPLE. Secondly, the hardware specifications are used to determine the similarity between training and test hardware to emphasize training samples captured from comparable devices (domains) and encourages improved domain alignment. Experimental results using a convolution neural network NAS benchmark across different types of devices, including an Intel processor that is now used for embedded vision applications, demonstrate a 5% improvement over MAPLE and 9% over HELP. Furthermore, we include ablation studies to independently assess the benefits of virtual examples and hardware-based sample importance.

We study the privacy risks that are associated with training a neural network's weights with self-supervised learning algorithms. Through empirical evidence, we show that the fine-tuning stage, in which the network weights are updated with an informative and often private dataset, is vulnerable to privacy attacks. To address the vulnerabilities, we design a post-training privacy-protection algorithm that adds noise to the fine-tuned weights and propose a novel differential privacy mechanism that samples noise from the logistic distribution. Compared to the two conventional additive noise mechanisms, namely the Laplace and the Gaussian mechanisms, the proposed mechanism uses a bell-shaped distribution that resembles the distribution of the Gaussian mechanism, and it satisfies pure $\epsilon$-differential privacy similar to the Laplace mechanism. We apply membership inference attacks on both unprotected and protected models to quantify the trade-off between the models' privacy and performance. We show that the proposed protection algorithm can effectively reduce the attack accuracy to roughly 50\%-equivalent to random guessing-while maintaining a performance loss below 5\%.

Recently, neural models have been leveraged to significantly improve the performance of information extraction from semi-structured websites. However, a barrier for continued progress is the small number of datasets large enough to train these models. In this work, we introduce the PLAtE (Pages of Lists Attribute Extraction) dataset as a challenging new web extraction task. PLAtE focuses on shopping data, specifically extractions from product review pages with multiple items. PLAtE encompasses both the tasks of: (1) finding product-list segmentation boundaries and (2) extracting attributes for each product. PLAtE is composed of 53, 905 items from 6, 810 pages, making it the first large-scale list page web extraction dataset. We construct PLAtE by collecting list pages from Common Crawl, then annotating them on Mechanical Turk. Quantitative and qualitative analyses are performed to demonstrate PLAtE has high-quality annotations. We establish strong baseline performance on PLAtE with a SOTA model achieving an F1-score of 0.750 for attribute classification and 0.915 for segmentation, indicating opportunities for future research innovations in web extraction.

We introduce a novel measure for quantifying the error in input predictions. The error is based on a minimum-cost hyperedge cover in a suitably defined hypergraph and provides a general template which we apply to online graph problems. The measure captures errors due to absent predicted requests as well as unpredicted actual requests; hence, predicted and actual inputs can be of arbitrary size. We achieve refined performance guarantees for previously studied network design problems in the online-list model, such as Steiner tree and facility location. Further, we initiate the study of learning-augmented algorithms for online routing problems, such as the traveling salesperson problem and dial-a-ride problem, where (transportation) requests arrive over time (online-time model). We provide a general algorithmic framework and we give error-dependent performance bounds that improve upon known worst-case barriers, when given accurate predictions, at the cost of slightly increased worst-case bounds when given predictions of arbitrary quality.

The efficient communication of noisy data has applications in several areas of machine learning, such as neural compression or differential privacy, and is also known as reverse channel coding or the channel simulation problem. Here we propose two new coding schemes with practical advantages over existing approaches. First, we introduce ordered random coding (ORC) which uses a simple trick to reduce the coding cost of previous approaches. This scheme further illuminates a connection between schemes based on importance sampling and the so-called Poisson functional representation. Second, we describe a hybrid coding scheme which uses dithered quantization to more efficiently communicate samples from distributions with bounded support.

A soft tree is an actively studied variant of a decision tree that updates splitting rules using the gradient method. Although it can have various tree architectures, the theoretical properties of their impact are not well known. In this paper, we formulate and analyze the Neural Tangent Kernel (NTK) induced by soft tree ensembles for arbitrary tree architectures. This kernel leads to the remarkable finding that only the number of leaves at each depth is relevant for the tree architecture in ensemble learning with infinitely many trees. In other words, if the number of leaves at each depth is fixed, the training behavior in function space and the generalization performance are exactly the same across different tree architectures, even if they are not isomorphic. We also show that the NTK of asymmetric trees like decision lists does not degenerate when they get infinitely deep. This is in contrast to the perfect binary trees, whose NTK is known to degenerate and leads to worse generalization performance for deeper trees.

A basic task in explainable AI (XAI) is to identify the most important features behind a prediction made by a black box function $f$. The insertion and deletion tests of \cite{petsiuk2018rise} are used to judge the quality of algorithms that rank pixels from most to least important for a classification. Motivated by regression problems we establish a formula for their area under the curve (AUC) criteria in terms of certain main effects and interactions in an anchored decomposition of $f$. We find an expression for the expected value of the AUC under a random ordering of inputs to $f$ and propose an alternative area above a straight line for the regression setting. We use this criterion to compare feature importances computed by integrated gradients (IG) to those computed by Kernel SHAP (KS). Exact computation of KS grows exponentially with dimension, while that of IG grows linearly with dimension. In two data sets including binary variables we find that KS is superior to IG in insertion and deletion tests, but only by a very small amount. Our comparison problems include some binary inputs that pose a challenge to IG because it must use values between the possible variable levels. We show that IG will match KS when $f$ is an additive function plus a multilinear function of the variables. This includes a multilinear interpolation over the binary variables that would cause IG to have exponential cost in a naive implementation.

Missing data is a systemic problem in practical scenarios that causes noise and bias when estimating treatment effects. This makes treatment effect estimation from data with missingness a particularly tricky endeavour. A key reason for this is that standard assumptions on missingness are rendered insufficient due to the presence of an additional variable, treatment, besides the individual and the outcome. Having a treatment variable introduces additional complexity with respect to why some variables are missing that is not fully explored by previous work. In our work we identify a new missingness mechanism, which we term mixed confounded missingness (MCM), where some missingness determines treatment selection and other missingness is determined by treatment selection. Given MCM, we show that naively imputing all data leads to poor performing treatment effects models, as the act of imputation effectively removes information necessary to provide unbiased estimates. However, no imputation at all also leads to biased estimates, as missingness determined by treatment divides the population in distinct subpopulations, where estimates across these populations will be biased. Our solution is selective imputation, where we use insights from MCM to inform precisely which variables should be imputed and which should not. We empirically demonstrate how various learners benefit from selective imputation compared to other solutions for missing data.

We study the problem of learning a mixture of multiple linear dynamical systems (LDSs) from unlabeled short sample trajectories, each generated by one of the LDS models. Despite the wide applicability of mixture models for time-series data, learning algorithms that come with end-to-end performance guarantees are largely absent from existing literature. There are multiple sources of technical challenges, including but not limited to (1) the presence of latent variables (i.e. the unknown labels of trajectories); (2) the possibility that the sample trajectories might have lengths much smaller than the dimension $d$ of the LDS models; and (3) the complicated temporal dependence inherent to time-series data. To tackle these challenges, we develop a two-stage meta-algorithm, which is guaranteed to efficiently recover each ground-truth LDS model up to error $\tilde{O}(\sqrt{d/T})$, where $T$ is the total sample size. We validate our theoretical studies with numerical experiments, confirming the efficacy of the proposed algorithm.

We study how well generative adversarial networks (GAN) learn probability distributions from finite samples by analyzing the convergence rates of these models. Our analysis is based on a new oracle inequality that decomposes the estimation error of GAN into the discriminator and generator approximation errors, generalization error and optimization error. To estimate the discriminator approximation error, we establish error bounds on approximating H\"older functions by ReLU neural networks, with explicit upper bounds on the Lipschitz constant of the network or norm constraint on the weights. For generator approximation error, we show that neural network can approximately transform a low-dimensional source distribution to a high-dimensional target distribution and bound such approximation error by the width and depth of neural network. Combining the approximation results with generalization bounds of neural networks from statistical learning theory, we establish the convergence rates of GANs in various settings, when the error is measured by a collection of integral probability metrics defined through H\"older classes, including the Wasserstein distance as a special case. In particular, for distributions concentrated around a low-dimensional set, we show that the convergence rates of GANs do not depend on the high ambient dimension, but on the lower intrinsic dimension.

We consider data-driven approaches that integrate a machine learning prediction model within distributionally robust optimization (DRO) given limited joint observations of uncertain parameters and covariates. Our framework is flexible in the sense that it can accommodate a variety of regression setups and DRO ambiguity sets. We investigate asymptotic and finite sample properties of solutions obtained using Wasserstein, sample robust optimization, and phi-divergence-based ambiguity sets within our DRO formulations, and explore cross-validation approaches for sizing these ambiguity sets. Through numerical experiments, we validate our theoretical results, study the effectiveness of our approaches for sizing ambiguity sets, and illustrate the benefits of our DRO formulations in the limited data regime even when the prediction model is misspecified.

We propose a kernel-based nonparametric test of relative goodness of fit, where the goal is to compare two models, both of which may have unobserved latent variables, such that the marginal distribution of the observed variables is intractable. The proposed test generalizes the recently proposed kernel Stein discrepancy (KSD) tests (Liu et al., 2016, Chwialkowski et al., 2016, Yang et al., 2018) to the case of latent variable models, a much more general class than the fully observed models treated previously. The new test, with a properly calibrated threshold, has a well-controlled type-I error. In the case of certain models with low-dimensional latent structure and high-dimensional observations, our test significantly outperforms the relative Maximum Mean Discrepancy test, which is based on samples from the models and does not exploit the latent structure.

This paper studies the construction of p-values for nonparametric outlier detection, taking a multiple-testing perspective. The goal is to test whether new independent samples belong to the same distribution as a reference data set or are outliers. We propose a solution based on conformal inference, a broadly applicable framework which yields p-values that are marginally valid but mutually dependent for different test points. We prove these p-values are positively dependent and enable exact false discovery rate control, although in a relatively weak marginal sense. We then introduce a new method to compute p-values that are both valid conditionally on the training data and independent of each other for different test points; this paves the way to stronger type-I error guarantees. Our results depart from classical conformal inference as we leverage concentration inequalities rather than combinatorial arguments to establish our finite-sample guarantees. Furthermore, our techniques also yield a uniform confidence bound for the false positive rate of any outlier detection algorithm, as a function of the threshold applied to its raw statistics. Finally, the relevance of our results is demonstrated by numerical experiments on real and simulated data.

The advent of fast sensing technologies allows for real-time model updates in many applications where the model parameters are uncertain. Bayesian algorithms, such as ensemble smoothers, offer a real-time probabilistic inversion accounting for uncertainties. However, they rely on the repeated evaluation of the computational models, and deep neural network (DNN) based proxies can be useful to address this computational bottleneck. This paper studies the effects of the approximate nature of the deep learned models and associated model errors during the inversion of extra-deep borehole electromagnetic (EM) measurements, which are critical for geosteering. Using a deep neural network (DNN) as a forward model allows us to perform thousands of model evaluations within seconds, which is very useful for quantifying uncertainties and non-uniqueness in real-time. While significant efforts are usually made to ensure the accuracy of the DNN models, it is known that they contain unknown model errors in the regions not covered by the training data. When DNNs are utilized during inversion of EM measurements, the effects of the model errors could manifest themselves as a bias in the estimated input parameters and, consequently, might result in a low-quality geosteering decision. We present numerical results highlighting the challenges associated with the inversion of EM measurements while neglecting model error. We further demonstrate the utility of a recently proposed flexible iterative ensemble smoother in reducing the effect of model bias by capturing the unknown model errors, thus improving the quality of the estimated subsurface properties for geosteering operation. Moreover, we describe a procedure for identifying inversion multimodality and propose possible solutions to alleviate it in real-time.

Protein complexes are macromolecules essential to the functioning and well-being of all living organisms. As the structure of a protein complex, in particular its region of interaction between multiple protein subunits (i.e., chains), has a notable influence on the biological function of the complex, computational methods that can quickly and effectively be used to refine and assess the quality of a protein complex's 3D structure can directly be used within a drug discovery pipeline to accelerate the development of new therapeutics and improve the efficacy of future vaccines. In this work, we introduce the Equivariant Graph Refiner (EGR), a novel E(3)-equivariant graph neural network (GNN) for multi-task structure refinement and assessment of protein complexes. Our experiments on new, diverse protein complex datasets, all of which we make publicly available in this work, demonstrate the state-of-the-art effectiveness of EGR for atomistic refinement and assessment of protein complexes and outline directions for future work in the field. In doing so, we establish a baseline for future studies in macromolecular refinement and structure analysis.

We study the privacy risks that are associated with training a neural network's weights with self-supervised learning algorithms. Through empirical evidence, we show that the fine-tuning stage, in which the network weights are updated with an informative and often private dataset, is vulnerable to privacy attacks. To address the vulnerabilities, we design a post-training privacy-protection algorithm that adds noise to the fine-tuned weights and propose a novel differential privacy mechanism that samples noise from the logistic distribution. Compared to the two conventional additive noise mechanisms, namely the Laplace and the Gaussian mechanisms, the proposed mechanism uses a bell-shaped distribution that resembles the distribution of the Gaussian mechanism, and it satisfies pure $\epsilon$-differential privacy similar to the Laplace mechanism. We apply membership inference attacks on both unprotected and protected models to quantify the trade-off between the models' privacy and performance. We show that the proposed protection algorithm can effectively reduce the attack accuracy to roughly 50\%-equivalent to random guessing-while maintaining a performance loss below 5\%.

Applications of Reinforcement Learning (RL), in which agents learn to make a sequence of decisions despite lacking complete information about the latent states of the controlled system, that is, they act under partial observability of the states, are ubiquitous. Partially observable RL can be notoriously difficult -- well-known information-theoretic results show that learning partially observable Markov decision processes (POMDPs) requires an exponential number of samples in the worst case. Yet, this does not rule out the existence of large subclasses of POMDPs over which learning is tractable. In this paper we identify such a subclass, which we call weakly revealing POMDPs. This family rules out the pathological instances of POMDPs where observations are uninformative to a degree that makes learning hard. We prove that for weakly revealing POMDPs, a simple algorithm combining optimism and Maximum Likelihood Estimation (MLE) is sufficient to guarantee polynomial sample complexity. To the best of our knowledge, this is the first provably sample-efficient result for learning from interactions in overcomplete POMDPs, where the number of latent states can be larger than the number of observations.

The matching principles behind optimal transport (OT) play an increasingly important role in machine learning, a trend which can be observed when OT is used to disambiguate datasets in applications (e.g. single-cell genomics) or used to improve more complex methods (e.g. balanced attention in transformers or self-supervised learning). To scale to more challenging problems, there is a growing consensus that OT requires solvers that can operate on millions, not thousands, of points. The low-rank optimal transport (LOT) approach advocated in \cite{scetbon2021lowrank} holds several promises in that regard, and was shown to complement more established entropic regularization approaches, being able to insert itself in more complex pipelines, such as quadratic OT. LOT restricts the search for low-cost couplings to those that have a low-nonnegative rank, yielding linear time algorithms in cases of interest. However, these promises can only be fulfilled if the LOT approach is seen as a legitimate contender to entropic regularization when compared on properties of interest, where the scorecard typically includes theoretical properties (statistical bounds, relation to other methods) or practical aspects (debiasing, hyperparameter tuning, initialization). We target each of these areas in this paper in order to cement the impact of low-rank approaches in computational OT.

We generalize fast Gaussian process leave-one-out formulae to multiple-fold cross-validation, highlighting in turn in broad settings the covariance structure of cross-validation residuals. The employed approach, that relies on block matrix inversion via Schur complements, is applied to both Simple and Universal Kriging frameworks. We illustrate how resulting covariances affect model diagnostics and how to properly transform residuals in the first place. Beyond that, we examine how accounting for dependency between such residuals affect cross-validation-based estimation of the scale parameter. It is found in two distinct cases, namely in scale estimation and in broader covariance parameter estimation via pseudo-likelihood, that correcting for covariances between cross-validation residuals leads back to maximum likelihood estimation or to an original variation thereof. The proposed fast calculation of Gaussian Process multiple-fold cross-validation residuals is implemented and benchmarked against a naive implementation, all in R language. Numerical experiments highlight the accuracy of our approach as well as the substantial speed-ups that it enables. It is noticeable however, as supported by a discussion on the main drivers of computational costs and by a dedicated numerical benchmark, that speed-ups steeply decline as the number of folds (say, all sharing the same size) decreases. Overall, our results enable fast multiple-fold cross-validation, have direct consequences in GP model diagnostics, and pave the way to future work on hyperparameter fitting as well as on the promising field of goal-oriented fold design.

Recent work by Jacot et al. (2018) has shown that training a neural network using gradient descent in parameter space is related to kernel gradient descent in function space with respect to the Neural Tangent Kernel (NTK). Lee et al. (2019) built on this result by establishing that the output of a neural network trained using gradient descent can be approximated by a linear model when the network width is large. Indeed, under regularity conditions, the NTK converges to a time-independent kernel in the infinite-width limit. This regime is often called the NTK regime. In parallel, recent works on signal propagation (Poole et al., 2016; Schoenholz et al., 2017; Hayou et al., 2019a) studied the impact of the initialization and the activation function on signal propagation in deep neural networks. In this paper, we connect these two theories by quantifying the impact of the initialization and the activation function on the NTK when the network depth becomes large. In particular, we provide a comprehensive analysis of the convergence rates of the NTK regime to the infinite depth regime.

Dirichlet process mixtures are flexible non-parametric models, particularly suited to density estimation and probabilistic clustering. In this work we study the posterior distribution induced by Dirichlet process mixtures as the sample size increases, and more specifically focus on consistency for the unknown number of clusters when the observed data are generated from a finite mixture. Crucially, we consider the situation where a prior is placed on the concentration parameter of the underlying Dirichlet process. Previous findings in the literature suggest that Dirichlet process mixtures are typically not consistent for the number of clusters if the concentration parameter is held fixed and data come from a finite mixture. Here we show that consistency for the number of clusters can be achieved if the concentration parameter is adapted in a fully Bayesian way, as commonly done in practice. Our results are derived for data coming from a class of finite mixtures, with mild assumptions on the prior for the concentration parameter and for a variety of choices of likelihood kernels for the mixture.

Inferring the abstract relational and causal structure of the world is a major challenge for reinforcement-learning (RL) agents. For humans, language--particularly in the form of explanations--plays a considerable role in overcoming this challenge. Here, we show that language can play a similar role for deep RL agents in complex environments. While agents typically struggle to acquire relational and causal knowledge, augmenting their experience by training them to predict language descriptions and explanations can overcome these limitations. We show that language can help agents learn challenging relational tasks, and examine which aspects of language contribute to its benefits. We then show that explanations can help agents to infer not only relational but also causal structure. Language can shape the way that agents to generalize out-of-distribution from ambiguous, causally-confounded training, and explanations even allow agents to learn to perform experimental interventions to identify causal relationships. Our results suggest that language description and explanation may be powerful tools for improving agent learning and generalization.

In this paper, we study the problem of bandits with knapsacks (BwK) in a non-stationary environment. The BwK problem generalizes the multi-arm bandit (MAB) problem to model the resource consumption associated with playing each arm. At each time, the decision maker/player chooses to play an arm, and s/he will receive a reward and consume certain amount of resource from each of the multiple resource types. The objective is to maximize the cumulative reward over a finite horizon subject to some knapsack constraints on the resources. Existing works study the BwK problem under either a stochastic or adversarial environment. Our paper considers a non-stationary environment which continuously interpolates between these two extremes. We first show that the traditional notion of variation budget is insufficient to characterize the non-stationarity of the BwK problem for a sublinear regret due to the presence of the constraints, and then we propose a new notion of global non-stationarity measure. We employ both non-stationarity measures to derive upper and lower bounds for the problem. Our results are based on a primal-dual analysis of the underlying linear programs and highlight the interplay between the constraints and the non-stationarity. Finally, we also extend the non-stationarity measure to the problem of online convex optimization with constraints and obtain new regret bounds accordingly.

Training even moderately-sized generative models with differentially-private stochastic gradient descent (DP-SGD) is difficult: the required level of noise for reasonable levels of privacy is simply too large. We advocate instead building off a good, relevant representation on public data, then using private data only for "transfer learning." In particular, we minimize the maximum mean discrepancy (MMD) between private target data and the generated distribution, using a kernel based on perceptual features from a public dataset. With the MMD, we can simply privatize the data-dependent term once and for all, rather than introducing noise at each step of optimization as in DP-SGD. Our algorithm allows us to generate CIFAR10-level images faithfully with $\varepsilon \approx 2$, far surpassing the current state of the art, which only models MNIST and FashionMNIST at $\varepsilon \approx 10$. Our work introduces simple yet powerful foundations for reducing the gap between private and non-private deep generative models.

The goal of the present work is to propose a way to modify both the initialization distribution of the weights of a neural network and its activation function, such that all pre-activations are Gaussian. We propose a family of pairs initialization/activation, where the activation functions span a continuum from bounded functions (such as Heaviside or tanh) to the identity function. This work is motivated by the contradiction between existing works dealing with Gaussian pre-activations: on one side, the works in the line of the Neural Tangent Kernels and the Edge of Chaos are assuming it, while on the other side, theoretical and experimental results challenge this hypothesis. The family of pairs initialization/activation we are proposing will help us to answer this hot question: is it desirable to have Gaussian pre-activations in a neural network?

Programmatic Weak Supervision (PWS) aggregates the source votes of multiple weak supervision sources into probabilistic training labels, which are in turn used to train an end model. With its increasing popularity, it is critical to have some tool for users to understand the influence of each component (e.g., the source vote or training data) in the pipeline and interpret the end model behavior. To achieve this, we build on Influence Function (IF) and propose source-aware IF, which leverages the generation process of the probabilistic labels to decompose the end model's training objective and then calculate the influence associated with each (data, source, class) tuple. These primitive influence score can then be used to estimate the influence of individual component of PWS, such as source vote, supervision source, and training data. On datasets of diverse domains, we demonstrate multiple use cases: (1) interpreting incorrect predictions from multiple angles that reveals insights for debugging the PWS pipeline, (2) identifying mislabeling of sources with a gain of 9%-37% over baselines, and (3) improving the end model's generalization performance by removing harmful components in the training objective (13%-24% better than ordinary IF).

We study the concentration phenomenon for discrete-time random dynamical systems with an unbounded state space. We develop a heuristic approach towards obtaining exponential concentration inequalities for dynamical systems using an entirely functional analytic framework. We also show that existence of exponential-type Lyapunov function, compared to the purely deterministic setting, not only implies stability but also exponential concentration inequalities for sampling from the stationary distribution, via \emph{transport-entropy inequality} (T-E). These results have significant impact in \emph{reinforcement learning} (RL) and \emph{controls}, leading to exponential concentration inequalities even for unbounded observables, while neither assuming reversibility nor exact knowledge of random dynamical system (assumptions at heart of concentration inequalities in statistical mechanics and Markov diffusion processes).

We study stochastic algorithms in a streaming framework, trained on samples coming from a dependent data source. In this streaming framework, we analyze the convergence of Stochastic Gradient (SG) methods in a non-asymptotic manner; this includes various SG methods such as the well-known stochastic gradient descent (i.e., Robbins-Monro algorithm), mini-batch SG methods, together with their averaged estimates (i.e., Polyak-Ruppert averaged). Our results form a heuristic by linking the level of dependency and convexity to the rest of the model parameters. This heuristic provides new insights into choosing the optimal learning rate, which can help increase the stability of SGbased methods; these investigations suggest large streaming batches with slow decaying learning rates for highly dependent data sources.

Cross-sectional prediction is common in many domains such as healthcare, including forecasting tasks using electronic health records, where different patients form a cross-section. We focus on the task of constructing valid prediction intervals (PIs) in time-series regression with a cross-section. A prediction interval is considered valid if it covers the true response with (a pre-specified) high probability. We first distinguish between two notions of validity in such a setting: cross-sectional and longitudinal. Cross-sectional validity is concerned with validity across the cross-section of the time series data, while longitudinal validity accounts for the temporal dimension. Coverage guarantees along both these dimensions are ideally desirable; however, we show that distribution-free longitudinal validity is theoretically impossible. Despite this limitation, we propose Conformal Prediction with Temporal Dependence (CPTD), a procedure which is able to maintain strict cross-sectional validity while improving longitudinal coverage. CPTD is post-hoc and light-weight, and can easily be used in conjunction with any prediction model as long as a calibration set is available. We focus on neural networks due to their ability to model complicated data such as diagnosis codes for time-series regression, and perform extensive experimental validation to verify the efficacy of our approach. We find that CPTD outperforms baselines on a variety of datasets by improving longitudinal coverage and often providing more efficient (narrower) PIs.

This article aims to propose and apply a machine learning method to analyze the direction of returns from Exchange Traded Funds (ETFs) using the historical return data of its components, helping to make investment strategy decisions through a trading algorithm. In methodological terms, regression and classification models were applied, using standard datasets from Brazilian and American markets, in addition to algorithmic error metrics. In terms of research results, they were analyzed and compared to those of the Na\"ive forecast and the returns obtained by the buy & hold technique in the same period of time. In terms of risk and return, the models mostly performed better than the control metrics, with emphasis on the linear regression model and the classification models by logistic regression, support vector machine (using the LinearSVC model), Gaussian Naive Bayes and K-Nearest Neighbors, where in certain datasets the returns exceeded by two times and the Sharpe ratio by up to four times those of the buy & hold control model.

Recent empirical and theoretical analyses of several commonly used prediction procedures reveal a peculiar risk behavior in high dimensions, referred to as double/multiple descent, in which the asymptotic risk is a non-monotonic function of the limiting aspect ratio of the number of features or parameters to the sample size. To mitigate this undesirable behavior, we develop a general framework for risk monotonization based on cross-validation that takes as input a generic prediction procedure and returns a modified procedure whose out-of-sample prediction risk is, asymptotically, monotonic in the limiting aspect ratio. As part of our framework, we propose two data-driven methodologies, namely zero- and one-step, that are akin to bagging and boosting, respectively, and show that, under very mild assumptions, they provably achieve monotonic asymptotic risk behavior. Our results are applicable to a broad variety of prediction procedures and loss functions, and do not require a well-specified (parametric) model. We exemplify our framework with concrete analyses of the minimum $\ell_2$, $\ell_1$-norm least squares prediction procedures. As one of the ingredients in our analysis, we also derive novel additive and multiplicative forms of oracle risk inequalities for split cross-validation that are of independent interest.

Multiclass probability estimation is the problem of estimating conditional probabilities of a data point belonging to a class given its covariate information. It has broad applications in statistical analysis and data science. Recently a class of weighted Support Vector Machines (wSVMs) have been developed to estimate class probabilities through ensemble learning for $K$-class problems (Wang, Shen and Liu, 2008; Wang, Zhang and Wu, 2019), where $K$ is the number of classes. The estimators are robust and achieve high accuracy for probability estimation, but their learning is implemented through pairwise coupling, which demand polynomial time in $K$. In this paper, we propose two new learning schemes, the baseline learning and the One-vs-All (OVA) learning, to further improve wSVMs in terms of computational efficiency and estimation accuracy. In particular, the baseline learning has optimal computational complexity in the sense that it is linear in $K$. The resulting estimators are distribution-free and shown to be consistent. We further conduct extensive numerical experiments to demonstrate finite sample performance.

In this paper, we propose a probabilistic physics-guided framework, termed Physics-guided Deep Markov Model (PgDMM). The framework targets the inference of the characteristics and latent structure of nonlinear dynamical systems from measurement data, where exact inference of latent variables is typically intractable. A recently surfaced option pertains to leveraging variational inference to perform approximate inference. In such a scheme, transition and emission functions of the system are parameterized via feed-forward neural networks (deep generative models). However, due to the generalized and highly versatile formulation of neural network functions, the learned latent space often lacks physical interpretation and structured representation. To address this, we bridge physics-based state space models with Deep Markov Models, thus delivering a hybrid modeling framework for unsupervised learning and identification of nonlinear dynamical systems. The proposed framework takes advantage of the expressive power of deep learning, while retaining the driving physics of the dynamical system by imposing physics-driven restrictions on the side of the latent space. We demonstrate the benefits of such a fusion in terms of achieving improved performance on illustrative simulation examples and experimental case studies of nonlinear systems. Our results indicate that the physics-based models involved in the employed transition and emission functions essentially enforce a more structured and physically interpretable latent space, which is essential for enhancing and generalizing the predictive capabilities of deep learning-based models.

We study a multi-agent stochastic linear bandit with side information, parameterized by an unknown vector $\theta^* \in \mathbb{R}^d$. The side information consists of a finite collection of low-dimensional subspaces, one of which contains $\theta^*$. In our setting, agents can collaborate to reduce regret by sending recommendations across a communication graph connecting them. We present a novel decentralized algorithm, where agents communicate subspace indices with each other and each agent plays a projected variant of LinUCB on the corresponding (low-dimensional) subspace. By distributing the search for the optimal subspace across users and learning of the unknown vector by each agent in the corresponding low-dimensional subspace, we show that the per-agent finite-time regret is much smaller than the case when agents do not communicate. We finally complement these results through simulations.

Kernel-based feature selection is an important tool in nonparametric statistics. Despite many practical applications of kernel-based feature selection, there is little statistical theory available to support the method. A core challenge is the objective function of the optimization problems used to define kernel-based feature selection are nonconvex. The literature has only studied the statistical properties of the \emph{global optima}, which is a mismatch, given that the gradient-based algorithms available for nonconvex optimization are only able to guarantee convergence to local minima. Studying the full landscape associated with kernel-based methods, we show that feature selection objectives using the Laplace kernel (and other $\ell_1$ kernels) come with statistical guarantees that other kernels, including the ubiquitous Gaussian kernel (or other $\ell_2$ kernels) do not possess. Based on a sharp characterization of the gradient of the objective function, we show that $\ell_1$ kernels eliminate unfavorable stationary points that appear when using an $\ell_2$ kernel. Armed with this insight, we establish statistical guarantees for $\ell_1$ kernel-based feature selection which do not require reaching the global minima. In particular, we establish model-selection consistency of $\ell_1$-kernel-based feature selection in recovering main effects and hierarchical interactions in the nonparametric setting with $n \sim \log p$ samples.

End-to-end training of neural network solvers for graph combinatorial optimization problems such as the Travelling Salesperson Problem (TSP) have seen a surge of interest recently, but remain intractable and inefficient beyond graphs with few hundreds of nodes. While state-of-the-art learning-driven approaches for TSP perform closely to classical solvers when trained on trivially small sizes, they are unable to generalize the learnt policy to larger instances at practical scales. This work presents an end-to-end neural combinatorial optimization pipeline that unifies several recent papers in order to identify the inductive biases, model architectures and learning algorithms that promote generalization to instances larger than those seen in training. Our controlled experiments provide the first principled investigation into such zero-shot generalization, revealing that extrapolating beyond training data requires rethinking the neural combinatorial optimization pipeline, from network layers and learning paradigms to evaluation protocols. Additionally, we analyze recent advances in deep learning for routing problems through the lens of our pipeline and provide new directions to stimulate future research.

Multi-armed bandit problems provide a framework to identify the optimal intervention over a sequence of repeated experiments. Without additional assumptions, minimax optimal performance (measured by cumulative regret) is well-understood. With access to additional observed variables that d-separate the intervention from the outcome (i.e., they are a d-separator), recent "causal bandit" algorithms provably incur less regret. However, in practice it is desirable to be agnostic to whether observed variables are a d-separator. Ideally, an algorithm should be adaptive; that is, perform nearly as well as an algorithm with oracle knowledge of the presence or absence of a d-separator. In this work, we formalize and study this notion of adaptivity, and provide a novel algorithm that simultaneously achieves (a) optimal regret when a d-separator is observed, improving on classical minimax algorithms, and (b) significantly smaller regret than recent causal bandit algorithms when the observed variables are not a d-separator. Crucially, our algorithm does not require any oracle knowledge of whether a d-separator is observed. We also generalize this adaptivity to other conditions, such as the front-door criterion.

AdaBelief, one of the current best optimizers, demonstrates superior generalization ability compared to the popular Adam algorithm by viewing the exponential moving average of observed gradients. AdaBelief is theoretically appealing in that it has a data-dependent $O(\sqrt{T})$ regret bound when objective functions are convex, where $T$ is a time horizon. It remains however an open problem whether the convergence rate can be further improved without sacrificing its generalization ability. %on how to exploit strong convexity to further improve the convergence rate of AdaBelief. To this end, we make a first attempt in this work and design a novel optimization algorithm called FastAdaBelief that aims to exploit its strong convexity in order to achieve an even faster convergence rate. In particular, by adjusting the step size that better considers strong convexity and prevents fluctuation, our proposed FastAdaBelief demonstrates excellent generalization ability as well as superior convergence. As an important theoretical contribution, we prove that FastAdaBelief attains a data-dependant $O(\log T)$ regret bound, which is substantially lower than AdaBelief. On the empirical side, we validate our theoretical analysis with extensive experiments in both scenarios of strong and non-strong convexity on three popular baseline models. Experimental results are very encouraging: FastAdaBelief converges the quickest in comparison to all mainstream algorithms while maintaining an excellent generalization ability, in cases of both strong or non-strong convexity. FastAdaBelief is thus posited as a new benchmark model for the research community.

We propose a new learning framework that captures the tiered structure of many real-world user-interaction applications, where the users can be divided into two groups based on their different tolerance on exploration risks and should be treated separately. In this setting, we simultaneously maintain two policies $\pi^{\text{O}}$ and $\pi^{\text{E}}$: $\pi^{\text{O}}$ ("O" for "online") interacts with more risk-tolerant users from the first tier and minimizes regret by balancing exploration and exploitation as usual, while $\pi^{\text{E}}$ ("E" for "exploit") exclusively focuses on exploitation for risk-averse users from the second tier utilizing the data collected so far. An important question is whether such a separation yields advantages over the standard online setting (i.e., $\pi^{\text{E}}=\pi^{\text{O}}$) for the risk-averse users. We individually consider the gap-independent vs.~gap-dependent settings. For the former, we prove that the separation is indeed not beneficial from a minimax perspective. For the latter, we show that if choosing Pessimistic Value Iteration as the exploitation algorithm to produce $\pi^{\text{E}}$, we can achieve a constant regret for risk-averse users independent of the number of episodes $K$, which is in sharp contrast to the $\Omega(\log K)$ regret for any online RL algorithms in the same setting, while the regret of $\pi^{\text{O}}$ (almost) maintains its online regret optimality and does not need to compromise for the success of $\pi^{\text{E}}$.

Learning causal structure poses a combinatorial search problem that typically involves evaluating structures using a score or independence test. The resulting search is costly, and designing suitable scores or tests that capture prior knowledge is difficult. In this work, we propose to amortize the process of causal structure learning. Rather than searching over causal structures directly, we train a variational inference model to predict the causal structure from observational/interventional data. Our inference model acquires domain-specific inductive bias for causal discovery solely from data generated by a simulator. This allows us to bypass both the search over graphs and the hand-engineering of suitable score functions. Moreover, the architecture of our inference model is permutation invariant w.r.t. the data points and permutation equivariant w.r.t. the variables, facilitating generalization to significantly larger problem instances than seen during training. On synthetic data and semi-synthetic gene expression data, our models exhibit robust generalization capabilities under substantial distribution shift and significantly outperform existing algorithms, especially in the challenging genomics domain.

Knowledge distillation is a learning paradigm for boosting resource-efficient graph neural networks (GNNs) using more expressive yet cumbersome teacher models. Past work on distillation for GNNs proposed the Local Structure Preserving loss (LSP), which matches local structural relationships defined over edges across the student and teacher's node embeddings. This paper studies whether preserving the global topology of how the teacher embeds graph data can be a more effective distillation objective for GNNs, as real-world graphs often contain latent interactions and noisy edges. We propose Graph Contrastive Representation Distillation (G-CRD), which uses contrastive learning to implicitly preserve global topology by aligning the student node embeddings to those of the teacher in a shared representation space. Additionally, we introduce an expanded set of benchmarks on large-scale real-world datasets where the performance gap between teacher and student GNNs is non-negligible. Experiments across 4 datasets and 14 heterogeneous GNN architectures show that G-CRD consistently boosts the performance and robustness of lightweight GNNs, outperforming LSP (and a global structure preserving variant of LSP) as well as baselines from 2D computer vision. An analysis of the representational similarity among teacher and student embedding spaces reveals that G-CRD balances preserving local and global relationships, while structure preserving approaches are best at preserving one or the other.

Identification methods for dynamic networks typically require prior knowledge of the network and disturbance topology, and often rely on solving poorly scalable non-convex optimization problems. While methods for estimating network topology are available in the literature, less attention has been paid to estimating the disturbance topology, i.e., the (spatial) noise correlation structure and the noise rank in a filtered white noise representation of the disturbance signal. In this work we present an identification method for dynamic networks, in which an estimation of the disturbance topology precedes the identification of the full dynamic network with known network topology. To this end we extend the multi-step Sequential Linear Regression and Weighted Null Space Fitting methods to deal with reduced rank noise, and use these methods to estimate the disturbance topology and the network dynamics in the full measurement situation. As a result, we provide a multi-step least squares algorithm with parallel computation capabilities and that rely only on explicit analytical solutions, thereby avoiding the usual non-convex optimizations involved. Consequently we consistently estimate dynamic networks of Box Jenkins model structure, while keeping the computational burden low. We provide a consistency proof that includes path-based data informativity conditions for allocation of excitation signals in the experimental design. Numerical simulations performed on a dynamic network with reduced rank noise clearly illustrate the potential of this method.

State-of-the-art machine learning models can be vulnerable to very small input perturbations that are adversarially constructed. Adversarial training is one of the most effective approaches to defend against such examples. We show that for linear regression problems, adversarial training can be formulated as a convex problem. This fact is then used to show that $\ell_\infty$-adversarial training produces sparse solutions and has many similarities to the lasso method. Similarly, $\ell_2$-adversarial training has similarities with ridge regression. We use a robust regression framework to analyze and understand these similarities and also point to some differences. Finally, we show how adversarial training behaves differently from other regularization methods when estimating overparameterized models (i.e., models with more parameters than datapoints). It minimizes a sum of three terms which regularizes the solution, but unlike lasso and ridge regression, it can sharply transition into an interpolation mode. We show that for sufficiently many features or sufficiently small regularization parameters, the learned model perfectly interpolates the training data while still exhibiting good out-of-sample performance.  ( 2 min )

Most complex machine learning and modelling techniques are prone to over-fitting and may subsequently generalise poorly to future data. Artificial neural networks are no different in this regard and, despite having a level of implicit regularisation when trained with gradient descent, often require the aid of explicit regularisers. We introduce a new framework, Model Gradient Similarity (MGS), that (1) serves as a metric of regularisation, which can be used to monitor neural network training, (2) adds insight into how explicit regularisers, while derived from widely different principles, operate via the same mechanism underneath by increasing MGS, and (3) provides the basis for a new regularisation scheme which exhibits excellent performance, especially in challenging settings such as high levels of label noise or limited sample sizes.  ( 2 min )

We propose a fundamental theory on ensemble learning that evaluates a given ensemble system by a well-grounded set of metrics. Previous studies used a variant of Fano's inequality of information theory and derived a lower bound of the classification error rate on the basis of the accuracy and diversity of models. We revisit the original Fano's inequality and argue that the studies did not take into account the information lost when multiple model predictions are combined into a final prediction. To address this issue, we generalize the previous theory to incorporate the information loss. Further, we empirically validate and demonstrate the proposed theory through extensive experiments on actual systems. The theory reveals the strengths and weaknesses of systems on each metric, which will push the theoretical understanding of ensemble learning and give us insights into designing systems.  ( 2 min )

Gaussian Processes (GPs) have proven themselves as a reliable and effective method in probabilistic Machine Learning. Thanks to recent and current advances, modeling complex data with GPs is becoming more and more feasible. Thus, these types of models are, nowadays, an interesting alternative to Neural and Deep Learning methods, which are arguably the current state-of-the-art in Machine Learning. For the latter, we see an increasing interest in so-called explainable approaches - in essence methods that aim to make a Machine Learning model's decision process transparent to humans. Such methods are particularly needed when illogical or biased reasoning can lead to actual disadvantageous consequences for humans. Ideally, explainable Machine Learning should help detect such flaws in a model and aid a subsequent debugging process. One active line of research in Machine Learning explainability are gradient-based methods, which have been successfully applied to complex neural networks. Given that GPs are closed under differentiation, gradient-based explainability for GPs appears as a promising field of research. This paper is primarily focused on explaining GP classifiers via gradients where, contrary to GP regression, derivative GPs are not straightforward to obtain.  ( 2 min )

Ensembles improve prediction performance and allow uncertainty quantification by aggregating predictions from multiple models. In deep ensembling, the individual models are usually black box neural networks, or recently, partially interpretable semi-structured deep transformation models. However, interpretability of the ensemble members is generally lost upon aggregation. This is a crucial drawback of deep ensembles in high-stake decision fields, in which interpretable models are desired. We propose a novel transformation ensemble which aggregates probabilistic predictions with the guarantee to preserve interpretability and yield uniformly better predictions than the ensemble members on average. Transformation ensembles are tailored towards interpretable deep transformation models but are applicable to a wider range of probabilistic neural networks. In experiments on several publicly available data sets, we demonstrate that transformation ensembles perform on par with classical deep ensembles in terms of prediction performance, discrimination, and calibration. In addition, we demonstrate how transformation ensembles quantify both aleatoric and epistemic uncertainty, and produce minimax optimal predictions under certain conditions.  ( 2 min )

Active speaker detection (ASD) and virtual cinematography (VC) can significantly improve the remote user experience of a video conference by automatically panning, tilting and zooming of a video conferencing camera: users subjectively rate an expert video cinematographer's video significantly higher than unedited video. We describe a new automated ASD and VC that performs within 0.3 MOS of an expert cinematographer based on subjective ratings with a 1-5 scale. This system uses a 4K wide-FOV camera, a depth camera, and a microphone array; it extracts features from each modality and trains an ASD using an AdaBoost machine learning system that is very efficient and runs in real-time. A VC is similarly trained using machine learning to optimize the subjective quality of the overall experience. To avoid distracting the room participants and reduce switching latency the system has no moving parts -- the VC works by cropping and zooming the 4K wide-FOV video stream. The system was tuned and evaluated using extensive crowdsourcing techniques and evaluated on a dataset with N=100 meetings, each 2-5 minutes in length.  ( 2 min )

submitted by /u/Ibrahim_Attawil [link] [comments]  ( 1 min )

submitted by /u/AnimoIsland [link] [comments]  ( 1 min )

I am currently working through Reinforcement Learning by Sutton and Barto. It is a great book, but since it is such a sub-speciality of machine learning I am wondering what universities have research being done in the field and not just machine learning in general? Where are top papers coming from? submitted by /u/caedin8 [link] [comments]  ( 1 min )

Hi all, I am following this workflow for PPO using keras and I have come across something that doesn't make sense to me, any help and clarification is appreciated - I am following PPO keras . In this line of code when calculating the ratio: def train_policy( observation_buffer, action_buffer, logprobability_buffer, advantage_buffer ): with tf.GradientTape() as tape: # Record operations for automatic differentiation. ratio = tf.exp( logprobabilities(actor(observation_buffer), action_buffer) - logprobability_buffer) I am confused about the subtraction from the logprobability buffer. ​ the line that preceeds this is the collection of information from the buffer: # Get values from the buffer ( observation_buffer, action_buffer, advantage_buffer, return_buffer, logprobability_buffer, ) = buffer.get() I feel like there is some tautology here although i am probably missing something very obvious(with some misunderstanding of KL divergence/importance sampling i'm sure). The log-probabilities function takes the logits from the actor model, then carries out a softmax over those logits - takes the action that was selected, and then returns the log of the action that was selected. but in the train step, we take the observation and actions from the buffer (the same ones for the epoch that has just been run)... call the log probabilities to take a batch of log probs with each state-action pair and the subtract from the log-probabilities from the buffer. however, the log-probabilities from the buffer ARE the same log-probabilities that the actor model will spit out, as they are the same observations and actions that led to log probs being inserted in to the buffer - and, the weights have not been updated by this point and so the softmax will be identical. what is the point of subtracting the same log-probabilities from the log-probability buffer? i don't see here the traditional 'old' vs 'new' policy. thank you! submitted by /u/amjass12 [link] [comments]  ( 2 min )

i'm new to RL and i'm trying to use it for a classification task ... yet i'm not quite sure how should i intialize the environment, agents.. any recommendations? submitted by /u/Affectionate_Worth43 [link] [comments]  ( 1 min )

Hello, I am new to reinforcement learning and I need to find a game environment and make agents corporate in an optimal way. I found some environments (petting zoo, ML agents Soccer-twos..). I read about RL algorithms such as MADDPG and my intuition was to integrate such algorithms into some environments I found. I want to know if this task is interesting, and any suggestions for tasks we can execute on MARL envs. submitted by /u/Ok_Lab_2750 [link] [comments]  ( 1 min )

submitted by /u/gwern [link] [comments]  ( 1 min )

First Medium article is out! Come see how Optumi is thinking about the shifting workflow needs of data science and machine learning professionals. https://medium.com/@optumi/scale-ml-experiments-from-jupyterlab-to-the-cloud-141bd645d8e9 submitted by /u/chrismarrie [link] [comments]  ( 1 min )

If you are interested in getting your text converted to an image by Google Brain Imagen use the following link: https://twitter.com/mo_norouzi/status/1529497457234780162?s=20&t=3K_M972bMeGRR2wG6kobHQ submitted by /u/aifordummies [link] [comments]

Hello, Here is: https://www.researchgate.net/publication/360541388_From_Classification_to_Regression_A_Note_on_Deodata_Predictors The paper describes how to adapt a set of classification algorithms in order to perform nonlinear regression. The algorithms are described with simple numerical examples. In the "Field Sampling Density" section, the described operation is akin to estimating the strength of a field. I am interested in your opinions. Thanks. submitted by /u/crispub [link] [comments]  ( 1 min )

Hey, it's Merve from Hugging Face 👋 I wanted to share some big news that I hope you find useful. The 🤗 Hub now has pull requests (PR) and discussions in repositories to improve collaboration in machine learning 🥳✨ What does PR really mean here? Let’s assume you have a big PyTorch model and someone else ported it to TensorFlow, that person can contribute that to your model repository. Someone else can open a PR to improve your model, fix your machine learning demo in a Space or change anything in the dataset. This applies for model/Space/dataset (any repo) repositories on the hub. You might say this sounds familiar to GitHub. For code, GitHub works super well and we don’t want to (and it would be very inefficient to) recreate the feature set of GitHub. What we want to focus on is creating the collaboration toolset that’s optimized for ML. You can learn more about these new features here: https://huggingface.co/blog/community-update. Looking forward to your feedback and suggestions! ✨ Hope this is useful 🙂 submitted by /u/unofficialmerve [link] [comments]  ( 2 min )

I am running on Arch Linux 5.17.9-arch1-1 with an NVIDIA GeForce RTX 3090 GPU. I need to run multiple processes for a reinforcement learning task, where each subprocess runs the data collection (and inference) and all the samples from that are then retrieved via queues in the main process and optimized (e.g. think of PPO but distributed, like IMPALA). I am using torch.multiprocessing for this. Unfortunately, the multiple spawned subprocesses cause A LOT of overhead in terms of GPU memory being used. See below for my nvidia-smi output: | 0 N/A N/A 559025 C ...3/envs/ml/bin/python 1873MiB | | 0 N/A N/A 559026 C ...3/envs/ml/bin/python 1873MiB | | 0 N/A N/A 559027 C ...3/envs/ml/bin/python 1873MiB | | 0 N/A N/A 559028 C ...3/envs/ml/bin/python 1873MiB | | 0 N/A N/A 559029 C ...3/envs/ml/bin/python 1873MiB | | 0 N/A N/A 559030 C ...3/envs/ml/bin/python 1873MiB | | 0 N/A N/A 559031 C ...3/envs/ml/bin/python 1873MiB | | 0 N/A N/A 559032 C ...3/envs/ml/bin/python 1873MiB | | 0 N/A N/A 559033 C ...3/envs/ml/bin/python 1873MiB | So it seems like each subprocess loads the entirety of all of PyTorch into GPU memory, which seems incredibly inefficient. Is there a way to get the subprocesses to only load this once and then share it? How can I reduce the GPU footprint for each process? EDIT: Even using a basic example from the PyTorch repo I can see the same problem: Because it's not forking, it seems to be using up tons of GPU memory for each process. Can this not be fixed? submitted by /u/tmuxed [link] [comments]  ( 2 min )

Hello r/MachineLearning! Some here might remember we open-sourced ZenML, a year or so ago, and started building it out in the open. Today, we're re-launching it to the world, with a brand-new look, and a sharper focus. We've spoken to hundreds of ML teams in the last year, and here is what we've found: 🐘 Getting ML into production reliably is still hard today. It takes too long, is too complicated, and not enough people know how to do it. 🦡 MLOps platforms are not the answer because they are opinionated, rigid, and slow to change. It's time for MLOps frameworks to shine, and bring structure to the ML ecosystem that is ripe for standardization. 🐼 Well-thought-out abstractions that make sense and are flexible are what the industry needs. Our launch blog post, "The Framework Way is t…  ( 2 min )

hi, I'm working on a consumer segmentation job, where the goal is to understand if there are subgroups of consumers who behave in a similar way to each other, but different from the rest of the population. My dataset contains a user interacting with an item for a period of time, with a reasonable assumption that more time spent means a more favorable view of the item (so we can take the time spent as a proxy for the user's taste). So far, I've created an ML model to learn embeddings of size 64 to represent my approximately 950k users and their interactions with the ~10k items. My original plan was to apply k-means clustering to those 64-dimensional user embeddings. However, this approach isn't yielding the degree of separation I require (e.g. the top most popular items to interact with are all the same ones for each cluster). Trying different values for k, I also get a basically entirely flat elbow graph. How should I proceed from here? I've thought of 2 options: - retraining my embeddings with a smaller size and retrying with k-means - researching an alternative clustering algorithm is there anything I haven't considered yet, but should? If no, which of these 2 approaches would you explore first, and if you prefer the latter, which algorithm(s) would you test out first? Thanks for your help! submitted by /u/the_Wallie [link] [comments]  ( 2 min )

I have an image classification problem, and have been using ResNet. The dense layers at the end are replaced with 1x1 convolutions, making the model fully convolutional. Classification is done on 128 x 128 patches, so if the input image is 128 x 128, I'll get output size 1x1. If image is 512 x 512, the output will be 4x4. Each output element will hold the prediction to which class the patch at that position belongs to. Now I'd like to try using transformer instead of ResNet. Can a similar thing be done with Vision Transformers? Are there any examples of that being done? submitted by /u/alkibijad [link] [comments]  ( 1 min )

Matrix decomposition is not perfect for improvement of recommendation systems. for example, you will find it hard to add gender and age of a user. In this article, we describe how we implemented a second, ranking level of the model above the collaborative one, and how two-stage recommendation systems help us to apply more complex algorithm https://medium.com/@FunCorp/putting-a-two-layered-recommendation-system-into-production-b8caaf61393d submitted by /u/Puzzleheaded_Egg_396 [link] [comments]

This blog post (Optimizing TensorFlow Lite Runtime Memory) says that TensorFlow Lite employs different approaches to handle intermediate tensors which occupy large amounts of memory. Is one of them DropIT: Dropping Intermediate Tensors for Memory-Efficient DNN Training method? submitted by /u/teraRockstar [link] [comments]  ( 1 min )

​ ISTM Technical Program You find the full technical program here: https://istm.no/program/ submitted by /u/olegranmo [link] [comments]  ( 1 min )

This project was made using rembg package that performs image segmentation with U^2-Net. https://reddit.com/link/uxathe/video/chhv2eewbk191/player submitted by /u/supercornson [link] [comments]  ( 1 min )

I have exhausted free gcp credits and I was wondering what are the best (affordable) ways to do machine learning online. Colab Pro (10 USD per month), Kaggle, Paperspace Gradient, etc come to mind. Any thoughts on which is the best? PS: I have used Colab Free version and Kaggle before - The session timeouts that lead you to re-run the notebook from the beginning is the worst experience ever. Also, the only information I could find about Gradient was from the founder, which obviously is not very reliable. Anybody else used it? submitted by /u/BigNet1356 [link] [comments]  ( 4 min )

Hi all, We've been working on building a serverless model training platform that can run on any cloud provider. We have a beta version of the platform currently working on Aws and Azure. Looking forward to your feedback and if this is something enterprise users will use? we are at https://cloud.netbook.ai/ submitted by /u/scb_11 [link] [comments]  ( 1 min )

https://github.com/visualdatabase/fastdup submitted by /u/gradientflow [link] [comments]

Posted by Pasin Manurangsi and Chiyuan Zhang, Research Scientists, Google Research Over the last several years, there has been an increased focus on developing differential privacy (DP) machine learning (ML) algorithms. DP has been the basis of several practical deployments in industry — and has even been employed by the U.S. Census — because it enables the understanding of system and algorithm privacy guarantees. The underlying assumption of DP is that changing a single user’s contribution to an algorithm should not significantly change its output distribution. In the standard supervised learning setting, a model is trained to make a prediction of the label for each input given a training set of example pairs {[input1,label1], …, [inputn, labeln]}. In the case of deep learning, previ…  ( 8 min )

Say I have hundred NNs of which 90 perform badly and ten perform "ok" to play a game. Now how do I seed new NNs from these ten? What "makes" a particular NN is its weights. So how do I now generate new NNs from these ten with random mutations? How do I even know that there is something like an "optimal" NN that can actually play the game? With a math background, I think there must be something like a "solution space", and it's not clear to me that a NN obtained through random mutations of the weights is even in a solution space. Thanks! submitted by /u/CantFixMoronic [link] [comments]  ( 1 min )

I'm creating an evolutionary simulator. I have creatures that I want to teach how to gather food. My creatures have a neural network brain, they have various input values for things such as location, proximity to food etc. They have 2 output neurons - moveX and moveY. Their brains are represented using a genetic code. Upon procreation with another creature, the genes from both parents are randomly inherited and mutations can occur. After a few thousand cycles, the creatures successfully learn how to gather food in the most efficient way possible. What type of learning would this fall into? I wouldn't say it is supervised learning since nobody is labeling the data, nor am I calculating some fitness value. Their survival is determined purely by the simulation conditions. I would guess that this falls under reinforcement learning, but I'm not sure, it might also be unsupervised learning. Can you help me find the proper terminology? submitted by /u/Log_Dogg [link] [comments]  ( 1 min )

submitted by /u/aidev2040 [link] [comments]

Here is a paper titled "A Grounded Deep Symbolic Neural Network for Perception" that I am planning to submit to the NeSy 2022 workshop. It is one of a number of workshops in the Second International Conference on Learning and Reasoning (IJCLR 2022) in Windsor, UK on 28th – 30th September. Papers are due by May 31st. I would appreciate any constructive feedback you would like to make. https://www.adaptroninc.com/sites/default/files/inline-files/Grounded_Deep_Symbolic_Neural_Network_for_comments.pdf Abstract Both animals and artificial intelligent agents rely upon the identification of types of objects and events during perception. It is a categorization process, which senses, recognizes and encodes invariant features. Binary neurons (binons) are general-purpose artificial neural nodes for representing properties, objects, events and relationships between them. Non-symbolic binons are used in short-term memory to represent core sensory properties such as position, intensity and time and ones derived from them. Ratios derived from these properties are converted into invariant symbolic categories using a novel discretization algorithm based on the Weber-Fechner psychophysical laws. Symbolic binons are combined to form deep hierarchical neural networks that comprise long-term memory. It contains spatial and temporal binons representing the shape and contrast patterns for categories of objects and events. They are grounded on the core and derived properties. Empirical evidence of their successful use in classifying handwritten digits was provided by Martensen in 2013[1]. The neural networks are 100% symbolic, transparent, compositional, scalable and sparse. Learning is continuous and unsupervised. submitted by /u/BrettNMartensen [link] [comments]  ( 1 min )

A new training approach yields artificial intelligence that adapts to diverse play-styles in a cooperative game, in what could be a win for human-AI teaming.  ( 6 min )

Modeling study suggests that the muffled environment in utero primes the brain’s ability to interpret some types of sound.  ( 7 min )

submitted by /u/Illustrious_Row_9971 [link] [comments]

submitted by /u/Wireless_Life [link] [comments]  ( 1 min )

submitted by /u/aidev2040 [link] [comments]

submitted by /u/RvZz11 [link] [comments]  ( 1 min )

submitted by /u/OnlyProggingForFun [link] [comments]  ( 1 min )

submitted by /u/DavidKShapiro [link] [comments]  ( 1 min )

A significant challenge of computational statistical mechanics is the accurate estimation of equilibrium parameters of a thermodynamic system. For decades, the methods of choice for sampling such systems at large have been molecular dynamics (MD) and hybrid Monte Carlo. Strategies for sampling probability distributions have increased, and most try leveraging normalizing flows. Normalizing Flows are a technique for creating complicated distributions that involve changing a probability density through a sequence of invertible mappings. These are desirable because of 2 characteristics: first, they can create independent samples rapidly and in parallel, and second, they can offer the precise probability density of their creation method. Training a flow-based model to approximate a target distribution yields an efficient but approximate sampler, and re-weighting the samples by their probability density can then be used to remove estimation bias for free energy estimation. The exciting part about flows is that they allow us to obtain accurate estimates even without samples from thermodynamic states. Continue Reading Paper: https://iopscience.iop.org/article/10.1088/2632-2153/ac6b16/pdf Github: https://github.com/deepmind/flows\_for\_atomic\_solids https://preview.redd.it/9z56s4iggl191.png?width=512&format=png&auto=webp&s=4417c7225923b06ae9f585b497e97f3bcbf7c0de submitted by /u/No_Coffee_4638 [link] [comments]  ( 1 min )

Hi, all, Glad to share an open source repository PaddleSpeech, which provides SOTA/Streaming ASR witch punctuation, influential TTS with text frontend and a product-ready VPR System. Code：https://github.com/PaddlePaddle/PaddleSpeech Features Set: 📦 Ease of Use: low barriers to install. The CLIs are available to quick-start your project. 🔬 Align to the State-of-the-Art: provide high-speed and ultra-lightweight models, and also cutting-edge technology. 🏆 Streaming ASR and TTS System: provide production ready streaming asr and streaming tts system. 💯 Rule-based frontend: the frontend contains Text Normalization and Grapheme-to-Phoneme (G2P, including Polyphone and Tone Sandhi). 🛎️ Multi-language: both English and Chinese are supported. Examples: Speech Recognition Input wav: Input.wav Output text: I knocked at the door on the ancient side of the building. Text-to-Speech Input text: Life was like a box of chocolates, you never know what you're gonna get. Output wav: Output.wav submitted by /u/Aha_IamDaniel [link] [comments]  ( 1 min )

submitted by /u/Due-Ad9795 [link] [comments]

I know next to nothing about AI, but was wondering if you could use AI to track the behavior or "search" for a pattern of behavior similar to mass shooters. Maybe a more broad question would be, could you develop AI to study human behavior and predict mental state through social media posts. submitted by /u/Lvl-Up-Candy [link] [comments]  ( 1 min )

submitted by /u/regalalgorithm [link] [comments]

For quite some time now, data science has enjoyed a reputation as the next big revolution in the tech and business landscape. The number of businesses employing the applications of data science has only increased in the recent few years. According to Statista, as of 2021, nearly 60 percent of companies are housing at least… Read More »10 Best Practices For Data Science The post 10 Best Practices For Data Science appeared first on Data Science Central.  ( 7 min )

In my rundown this week, I cover two distinct topics – a new Python analytics books and the rise of Apache Arrow. A New Python Data Analytics Book Published One of the best-known books on data analysis now has a new edition (3rd edition) available as an early open access The creator of Pandas library,… Read More »Python Book Goodies and Apache Arrow The post Python Book Goodies and Apache Arrow appeared first on Data Science Central.  ( 3 min )

The Internet has added a new document known as valid-page metadata that explores how the Internet processes inconsistent and invalid HTML and deals with issues of invalid mark-up. The Internet updates the help document as the title link with a new section on these headlines and troubleshoots the area.  However, most businesses are not aware… Read More »How Valid-Page Metadata Helps Businesses Grow The post How Valid-Page Metadata Helps Businesses Grow appeared first on Data Science Central.  ( 4 min )

Introduction We are in a time when information is the core element of business success for companies in almost any industry. As technologies emerge and find large-scale adoption, there is an influx of massive amounts of data within enterprises. Two primary challenges need to be solved to obtain the necessary information. First is trustable information… Read More »Why You Need an Augmented Data Integration Tool The post Why You Need an Augmented Data Integration Tool appeared first on Data Science Central.  ( 4 min )

The fourth industrial revolution has been a game-changer, with the global economy’s expansion driving the adoption of new technologies across sectors. Manufacturers are using AI software in product design, production, supply chain, and logistics. AI analytics and data are helping in improving product quality and efficiency. Advances in machine learning, artificial intelligence (AI), and Big… Read More »Pros And Cons of AI In Manufacturing The post Pros And Cons of AI In Manufacturing appeared first on Data Science Central.  ( 5 min )

Douglas Hofstadter discovered that the 8th harmonic number equals e. OK, not really. The following equation cannot possibly be true because the left side is rational and the right side is irrational. However, Hofstadter showed that the equation does hold if you carry all calculations out to three decimal places. 1.000 0.500 0.333 0.250 0.200 […] Harmonic e first appeared on John D. Cook.  ( 1 min )

We consider the top-k arm identification problem for multi-armed bandits with rewards belonging to a one-parameter canonical exponential family. The objective is to select the set of k arms with the highest mean rewards by sequential allocation of sampling efforts. We propose a unified optimal allocation problem that identifies the complexity measures of this problem under the fixed-confidence, fixed-budget settings, and the posterior convergence rate from the Bayesian perspective. We provide the first characterization of its optimality. We provide the first provably optimal algorithm in the fixed-confidence setting for k>1. We also propose an efficient heuristic algorithm for the top-k arm identification problem. Extensive numerical experiments demonstrate superior performance compare to existing methods in all three settings.

Substantial work indicates that the dynamics of neural networks (NNs) is closely related to their initialization of parameters. Inspired by the phase diagram for two-layer ReLU NNs with infinite width (Luo et al., 2021), we make a step towards drawing a phase diagram for three-layer ReLU NNs with infinite width. First, we derive a normalized gradient flow for three-layer ReLU NNs and obtain two key independent quantities to distinguish different dynamical regimes for common initialization methods. With carefully designed experiments and a large computation cost, for both synthetic datasets and real datasets, we find that the dynamics of each layer also could be divided into a linear regime and a condensed regime, separated by a critical regime. The criteria is the relative change of input weights (the input weight of a hidden neuron consists of the weight from its input layer to the hidden neuron and its bias term) as the width approaches infinity during the training, which tends to $0$, $+\infty$ and $O(1)$, respectively. In addition, we also demonstrate that different layers can lie in different dynamical regimes in a training process within a deep NN. In the condensed regime, we also observe the condensation of weights in isolated orientations with low complexity. Through experiments under three-layer condition, our phase diagram suggests a complicated dynamical regimes consisting of three possible regimes, together with their mixture, for deep NNs and provides a guidance for studying deep NNs in different initialization regimes, which reveals the possibility of completely different dynamics emerging within a deep NN for its different layers.

In this paper, we explore the use of multi-agent deep learning as well as learning to cooperate principles to meet stringent service level agreements, in terms of throughput and end-to-end delay, for a set of classified network flows. We consider agents built on top of a weighted fair queuing algorithm that continuously set weights for three flow groups: gold, silver, and bronze. We rely on a novel graph-convolution based, multi-agent reinforcement learning approach known as DGN. As benchmarks, we propose centralized and distributed deep Q-network approaches and evaluate their performances in different network, traffic, and routing scenarios, highlighting the effectiveness of our proposals and the importance of agent cooperation. We show that our DGN-based approach meets stringent throughput and delay requirements across all scenarios.

Deep learning is attracting interest across a variety of domains, including natural language processing, speech recognition, and computer vision. However, model training is time-consuming and requires huge computational resources. Existing works on the performance prediction of deep neural networks, which mostly focus on the training time prediction of a few models, rely on analytical models and result in high relative errors. %Optimizing task scheduling and reducing job failures in data centers are essential to improve resource utilization and reduce carbon emissions. This paper investigates the computational resource demands of 29 classical deep neural networks and builds accurate models for predicting computational costs. We first analyze the profiling results of typical networks and demonstrate that the computational resource demands of models with different inputs and hyperparameters are not obvious and intuitive. We then propose a lightweight prediction approach DNNAbacus with a novel network structural matrix for network representation. DNNAbacus can accurately predict both memory and time cost for PyTorch and TensorFlow models, which is also generalized to different hardware architectures and can have zero-shot capability for unseen networks. Our experimental results show that the mean relative error (MRE) is 0.9% with respect to time and 2.8% with respect to memory for 29 classic models, which is much lower than the state-of-the-art works.

Deep Learning has revolutionized the fields of computer vision, natural language understanding, speech recognition, information retrieval and more. Many techniques have evolved over the past decade that made models lighter, faster, and robust with better generalization. However, many deep learning practitioners persist with pre-trained models and architectures trained mostly on standard datasets such as Imagenet, MS-COCO, IMDB-Wiki Dataset, and Kinetics-700 and are either hesitant or unaware of redesigning the architecture from scratch that will lead to better performance. This scenario leads to inefficient models that are not suitable on various devices such as mobile, edge, and fog. In addition, these conventional training methods are of concern as they consume a lot of computing power. In this paper, we revisit various SOTA techniques that deal with architecture efficiency (Global Average Pooling, depth-wise convolutions & squeeze and excitation, Blurpool), learning rate (Cyclical Learning Rate), data augmentation (Mixup, Cutout), label manipulation (label smoothing), weight space manipulation (stochastic weight averaging), and optimizer (sharpness aware minimization). We demonstrate how an efficient deep convolution network can be built in a phased manner by sequentially reducing the number of training parameters and using the techniques mentioned above. We achieved a SOTA accuracy of 99.2% on MNIST data with just 1500 parameters and an accuracy of 86.01% with just over 140K parameters on the CIFAR-10 dataset.

The practical application of structural health monitoring (SHM) is often limited by the availability of labelled data. Transfer learning - specifically in the form of domain adaptation (DA) - gives rise to the possibility of leveraging information from a population of physical or numerical structures, by inferring a mapping that aligns the feature spaces. Typical DA methods rely on nonparametric distance metrics, which require sufficient data to perform density estimation. In addition, these methods can be prone to performance degradation under class imbalance. To address these issues, statistic alignment (SA) is discussed, with a demonstration of how these methods can be made robust to class imbalance, including a special case of class imbalance called a partial DA scenario. SA is demonstrated to facilitate damage localisation with no target labels in a numerical case study, outperforming other state-of-the-art DA methods. It is then shown to be capable of aligning the feature spaces of a real heterogeneous population, the Z24 and KW51 bridges, with only 220 samples used from the KW51 bridge. Finally, in scenarios where more complex mappings are required for knowledge transfer, SA is shown to be a vital pre-processing tool, increasing the performance of established DA methods.

We study human-in-the-loop reinforcement learning (RL) with trajectory preferences, where instead of receiving a numeric reward at each step, the agent only receives preferences over trajectory pairs from a human overseer. The goal of the agent is to learn the optimal policy which is most preferred by the human overseer. Despite the empirical successes, the theoretical understanding of preference-based RL (PbRL) is only limited to the tabular case. In this paper, we propose the first optimistic model-based algorithm for PbRL with general function approximation, which estimates the model using value-targeted regression and calculates the exploratory policies by solving an optimistic planning problem. Our algorithm achieves the regret of $\tilde{O} (\operatorname{poly}(d H) \sqrt{K} )$, where $d$ is the complexity measure of the transition and preference model depending on the Eluder dimension and log-covering numbers, $H$ is the planning horizon, $K$ is the number of episodes, and $\tilde O(\cdot)$ omits logarithmic terms. Our lower bound indicates that our algorithm is near-optimal when specialized to the linear setting. Furthermore, we extend the PbRL problem by formulating a novel problem called RL with $n$-wise comparisons, and provide the first sample-efficient algorithm for this new setting. To the best of our knowledge, this is the first theoretical result for PbRL with (general) function approximation.

We consider reinforcement learning for continuous-time Markov decision processes (MDPs) in the infinite-horizon, average-reward setting. In contrast to discrete-time MDPs, a continuous-time process moves to a state and stays there for a random holding time after an action is taken. With unknown transition probabilities and rates of exponential holding times, we derive instance-dependent regret lower bounds that are logarithmic in the time horizon. Moreover, we design a learning algorithm and establish a finite-time regret bound that achieves the logarithmic growth rate. Our analysis builds upon upper confidence reinforcement learning, a delicate estimation of the mean holding times, and stochastic comparison of point processes.

This paper presents a framework to automate the labelling process for gestures in musical performance videos with a 3D Convolutional Neural Network (CNN). While this idea was proposed in a previous study, this paper introduces several novelties: (i) Presents a novel method to overcome the class imbalance challenge and make learning possible for co-existent gestures by batch balancing approach and spatial-temporal representations of gestures. (ii) Performs a detailed study on 7 and 18 categories of gestures generated during the performance (guitar play) of musical pieces that have been video-recorded. (iii) Investigates the possibility to use audio features. (iv) Extends the analysis to multiple videos. The novel methods significantly improve the performance of gesture identification by 12 %, when compared to the previous work (51 % in this study over 39 % in previous work). We successfully validate the proposed methods on 7 super classes (72 %), an ensemble of the 18 gestures/classes, and additional videos (75 %).

Self-supervised learning (SSL) has been extensively explored in recent years. Particularly, generative SSL has seen emerging success in natural language processing and other fields, such as the wide adoption of BERT and GPT. Despite this, contrastive learning--which heavily relies on structural data augmentation and complicated training strategies--has been the dominant approach in graph SSL, while the progress of generative SSL on graphs, especially graph autoencoders (GAEs), has thus far not reached the potential as promised in other fields. In this paper, we identify and examine the issues that negatively impact the development of GAEs, including their reconstruction objective, training robustness, and error metric. We present a masked graph autoencoder GraphMAE that mitigates these issues for generative self-supervised graph learning. Instead of reconstructing structures, we propose to focus on feature reconstruction with both a masking strategy and scaled cosine error that benefit the robust training of GraphMAE. We conduct extensive experiments on 21 public datasets for three different graph learning tasks. The results manifest that GraphMAE--a simple graph autoencoder with our careful designs--can consistently generate outperformance over both contrastive and generative state-of-the-art baselines. This study provides an understanding of graph autoencoders and demonstrates the potential of generative self-supervised learning on graphs.

Data-efficient learning algorithms are essential in many practical applications for which data collection is expensive, e.g., for the optimal deployment of wireless systems in unknown propagation scenarios. Meta-learning can address this problem by leveraging data from a set of related learning tasks, e.g., from similar deployment settings. In practice, one may have available only unlabeled data sets from the related tasks, requiring a costly labeling procedure to be carried out before use in meta-learning. For instance, one may know the possible positions of base stations in a given area, but not the performance indicators achievable with each deployment. To decrease the number of labeling steps required for meta-learning, this paper introduces an information-theoretic active task selection mechanism, and evaluates an instantiation of the approach for Bayesian optimization of black-box models.

The tensor network, as a facterization of tensors, aims at performing the operations that are common for normal tensors, such as addition, contraction and stacking. However, due to its non-unique network structure, only the tensor network contraction is so far well defined. In this paper, we propose a mathematically rigorous definition for the tensor network stack approach, that compress a large amount of tensor networks into a single one without changing their structures and configurations. We illustrate the main ideas with the matrix product states based machine learning as an example. Our results are compared with the for loop and the efficient coding method on both CPU and GPU.

When applied to a real-world safety critical system like the power grid, general machine learning methods suffer from expensive training, non-physical solutions, and limited interpretability. To address these challenges for power grids, many recent works have explored the inclusion of grid physics (i.e., domain expertise) into their method design, primarily through including system constraints and technical limits, reducing search space and defining meaningful features in latent space. Yet, there is no general methodology to evaluate the practicality of these approaches in power grid tasks, and limitations exist regarding scalability, generalization, interpretability, etc. This work formalizes a new concept of physical interpretability which assesses how a ML model makes predictions in a physically meaningful way and introduces an evaluation methodology that identifies a set of attributes that a practical method should satisfy. Inspired by the evaluation attributes, the paper further develops a novel contingency analysis warm starter for MadIoT cyberattack, based on a conditional Gaussian random field. This method serves as an instance of an ML model that can incorporate diverse domain knowledge and improve on these identified attributes. Experiments validate that the warm starter significantly boosts the efficiency of contingency analysis for MadIoT attack even with shallow NN architectures.

Graph Contrastive Learning (GCL) has shown promising performance in graph representation learning (GRL) without the supervision of manual annotations. GCL can generate graph-level embeddings by maximizing the Mutual Information (MI) between different augmented views of the same graph (positive pairs). However, the GCL is limited by dimensional collapse, i.e., embedding vectors only occupy a low-dimensional subspace. In this paper, we show that the smoothing effect of the graph pooling and the implicit regularization of the graph convolution are two causes of the dimensional collapse in GCL. To mitigate the above issue, we propose a non-maximum removal graph contrastive learning approach (nmrGCL), which removes "prominent'' dimensions (i.e., contribute most in similarity measurement) for positive pair in the pre-text task. Comprehensive experiments on various benchmark datasets are conducted to demonstrate the effectiveness of nmrGCL, and the results show that our model outperforms the state-of-the-art methods. Source code will be made publicly available.

Zero-shot text classifiers based on label descriptions embed an input text and a set of labels into the same space: measures such as cosine similarity can then be used to select the most similar label description to the input text as the predicted label. In a true zero-shot setup, designing good label descriptions is challenging because no development set is available. Inspired by the literature on Learning with Disagreements, we look at how probabilistic models of repeated rating analysis can be used for selecting the best label descriptions in an unsupervised fashion. We evaluate our method on a set of diverse datasets and tasks (sentiment, topic and stance). Furthermore, we show that multiple, noisy label descriptions can be aggregated to boost the performance.

We study episodic two-player zero-sum Markov games (MGs) in the offline setting, where the goal is to find an approximate Nash equilibrium (NE) policy pair based on a dataset collected a priori. When the dataset does not have uniform coverage over all policy pairs, finding an approximate NE involves challenges in three aspects: (i) distributional shift between the behavior policy and the optimal policy, (ii) function approximation to handle large state space, and (iii) minimax optimization for equilibrium solving. We propose a pessimism-based algorithm, dubbed as pessimistic minimax value iteration (PMVI), which overcomes the distributional shift by constructing pessimistic estimates of the value functions for both players and outputs a policy pair by solving NEs based on the two value functions. Furthermore, we establish a data-dependent upper bound on the suboptimality which recovers a sublinear rate without the assumption on uniform coverage of the dataset. We also prove an information-theoretical lower bound, which suggests that the data-dependent term in the upper bound is intrinsic. Our theoretical results also highlight a notion of "relative uncertainty", which characterizes the necessary and sufficient condition for achieving sample efficiency in offline MGs. To the best of our knowledge, we provide the first nearly minimax optimal result for offline MGs with function approximation.

Attention mechanisms are dominating the explainability of deep models. They produce probability distributions over the input, which are widely deemed as feature-importance indicators. However, in this paper, we find one critical limitation in attention explanations: weakness in identifying the polarity of feature impact. This would be somehow misleading -- features with higher attention weights may not faithfully contribute to model predictions; instead, they can impose suppression effects. With this finding, we reflect on the explainability of current attention-based techniques, such as Attentio$\odot$Gradient and LRP-based attention explanations. We first propose an actionable diagnostic methodology (henceforth faithfulness violation test) to measure the consistency between explanation weights and the impact polarity. Through the extensive experiments, we then show that most tested explanation methods are unexpectedly hindered by the faithfulness violation issue, especially the raw attention. Empirical analyses on the factors affecting violation issues further provide useful observations for adopting explanation methods in attention models.

Most deep reinforcement learning (RL) algorithms distill experience into parametric behavior policies or value functions via gradient updates. While effective, this approach has several disadvantages: (1) it is computationally expensive, (2) it can take many updates to integrate experiences into the parametric model, (3) experiences that are not fully integrated do not appropriately influence the agent's behavior, and (4) behavior is limited by the capacity of the model. In this paper we explore an alternative paradigm in which we train a network to map a dataset of past experiences to optimal behavior. Specifically, we augment an RL agent with a retrieval process (parameterized as a neural network) that has direct access to a dataset of experiences. This dataset can come from the agent's past experiences, expert demonstrations, or any other relevant source. The retrieval process is trained to retrieve information from the dataset that may be useful in the current context, to help the agent achieve its goal faster and more efficiently. he proposed method facilitates learning agents that at test-time can condition their behavior on the entire dataset and not only the current state, or current trajectory. We integrate our method into two different RL agents: an offline DQN agent and an online R2D2 agent. In offline multi-task problems, we show that the retrieval-augmented DQN agent avoids task interference and learns faster than the baseline DQN agent. On Atari, we show that retrieval-augmented R2D2 learns significantly faster than the baseline R2D2 agent and achieves higher scores. We run extensive ablations to measure the contributions of the components of our proposed method.

Reasoning is central to human intelligence. However, fallacious arguments are common, and some exacerbate problems such as spreading misinformation about climate change. In this paper, we propose the task of logical fallacy detection, and provide a new dataset (Logic) of logical fallacies generally found in text, together with an additional challenge set for detecting logical fallacies in climate change claims (LogicClimate). Detecting logical fallacies is a hard problem as the model must understand the underlying logical structure of the argument. We find that existing pretrained large language models perform poorly on this task. In contrast, we show that a simple structure-aware classifier outperforms the best language model by 5.46% on Logic and 4.51% on LogicClimate. We encourage future work to explore this task as (a) it can serve as a new reasoning challenge for language models, and (b) it can have potential applications in tackling the spread of misinformation. Our dataset and code are available at https://github.com/causalNLP/logical-fallacy.

Training of speech enhancement systems often does not incorporate knowledge of human perception and thus can lead to unnatural sounding results. Incorporating psychoacoustically motivated speech perception metrics as part of model training via a predictor network has recently gained interest. However, the performance of such predictors is limited by the distribution of metric scores that appear in the training data. In this work, we propose MetricGAN+/- (an extension of MetricGAN+, one such metric-motivated system) which introduces an additional network - a "de-generator" which attempts to improve the robustness of the prediction network (and by extension of the generator) by ensuring observation of a wider range of metric scores in training. Experimental results on the VoiceBank-DEMAND dataset show relative improvement in PESQ score of 3.8% (3.05 vs 3.22 PESQ score), as well as better generalisation to unseen noise and speech.

Designing spectral convolutional networks is a challenging problem in graph learning. ChebNet, one of the early attempts, approximates the spectral graph convolutions using Chebyshev polynomials. GCN simplifies ChebNet by utilizing only the first two Chebyshev polynomials while still outperforming it on real-world datasets. GPR-GNN and BernNet demonstrate that the Monomial and Bernstein bases also outperform the Chebyshev basis in terms of learning the spectral graph convolutions. Such conclusions are counter-intuitive in the field of approximation theory, where it is established that the Chebyshev polynomial achieves the optimum convergent rate for approximating a function. In this paper, we revisit the problem of approximating the spectral graph convolutions with Chebyshev polynomials. We show that ChebNet's inferior performance is primarily due to illegal coefficients learnt by ChebNet approximating analytic filter functions, which leads to over-fitting. We then propose ChebNetII, a new GNN model based on Chebyshev interpolation, which enhances the original Chebyshev polynomial approximation while reducing the Runge phenomenon. We conducted an extensive experimental study to demonstrate that ChebNetII can learn arbitrary graph convolutions and achieve superior performance in both full- and semi-supervised node classification tasks. Most notably, we scale ChebNetII to a billion graph ogbn-papers100M, showing that spectral-based GNNs have superior performance.

In this work, we provide a characterization of the feature-learning process in two-layer ReLU networks trained by gradient descent on the logistic loss following random initialization. We consider data with binary labels that are generated by an XOR-like function of the input features. We permit a constant fraction of the training labels to be corrupted by an adversary. We show that, although linear classifiers are no better than random guessing for the distribution we consider, two-layer ReLU networks trained by gradient descent achieve generalization error close to the label noise rate. We develop a novel proof technique that shows that at initialization, the vast majority of neurons function as random features that are only weakly correlated with useful features, and the gradient descent dynamics 'amplify' these weak, random features to strong, useful features.

We address the problem of learning a machine learning model from training data that originates at multiple data owners while providing formal privacy guarantees regarding the protection of each owner's data. Existing solutions based on Differential Privacy (DP) achieve this at the cost of a drop in accuracy. Solutions based on Secure Multiparty Computation (MPC) do not incur such accuracy loss but leak information when the trained model is made publicly available. We propose an MPC solution for training DP models. Our solution relies on an MPC protocol for model training, and an MPC protocol for perturbing the trained model coefficients with Laplace noise in a privacy-preserving manner. The resulting MPC+DP approach achieves higher accuracy than a pure DP approach while providing the same formal privacy guarantees. Our work obtained first place in the iDASH2021 Track III competition on confidential computing for secure genome analysis.

Machine learning (ML) has become prominent in applications that directly affect people's quality of life, including in healthcare, justice, and finance. ML models have been found to exhibit discrimination based on sensitive attributes such as gender, race, or disability. Assessing if an ML model is free of bias remains challenging to date, and by definition has to be done with sensitive user characteristics that are subject of anti-discrimination and data protection law. Existing libraries for fairness auditing of ML models offer no mechanism to protect the privacy of the audit data. We present PrivFair, a library for privacy-preserving fairness audits of ML models. Through the use of Secure Multiparty Computation (MPC), PrivFair protects the confidentiality of the model under audit and the sensitive data used for the audit, hence it supports scenarios in which a proprietary classifier owned by a company is audited using sensitive audit data from an external investigator. We demonstrate the use of PrivFair for group fairness auditing with tabular data or image data, without requiring the investigator to disclose their data to anyone in an unencrypted manner, or the model owner to reveal their model parameters to anyone in plaintext.

Mixtures of ranking models are standard tools for ranking problems. However, even the fundamental question of parameter identifiability is not fully understood: the identifiability of a mixture model with two Bradley-Terry-Luce (BTL) components has remained open. In this work, we show that popular mixtures of ranking models with two components (BTL, multinomial logistic models with slates of size 3, or Plackett-Luce) are generically identifiable, i.e., the ground-truth parameters can be identified except when they are from a pathological subset of measure zero. We provide a framework for verifying the number of solutions in a general family of polynomial systems using algebraic geometry, and apply it to these mixtures of ranking models to establish generic identifiability. The framework can be applied more broadly to other learning models and may be of independent interest.

Dementia is characterized by a decline in memory and thinking that is significant enough to impair function in activities of daily living. Patients seen in dementia specialty clinics are highly heterogeneous with a variety of different symptoms that progress at different rates. In this work, we used an unsupervised data-driven K-Means clustering approach on the component scores of the Clinical Dementia Rating (CDR) score to identify dementia subtypes and used the gap-statistic to identify the optimal number of clusters. Our goal was to characterize the identified dementia subtypes in terms of their cognitive performance and analyze how patient transitions between subtypes relate to disease progression. Our results indicate both inter-subtype variability, which indicates the variability amongst dementia subtypes for a particular component score even with the same CDR and (ii) intra-subtype variability, which indicates the variation in the 6 component scores within a particular dementia subtype. We observed that dementia subtypes that represented individuals with very mild dementia (CDR 0.5) had widely varying rates of transition to other subtypes. Future work includes testing the generalizability of our proposed pipeline on additional datasets, and using a larger volume of EHR data to estimate probabilistic estimates of the variability between dementia subtypes both in terms of cognitive profile and disease progression.

As emerging deep neural network (DNN) models continue to grow in size, using large GPU clusters to train DNNs is becoming an essential requirement to achieving acceptable training times. In this paper, we consider the case where future increases in cluster size will cause the global batch size that can be used to train models to reach a fundamental limit: beyond a certain point, larger global batch sizes cause sample efficiency to degrade, increasing overall time to accuracy. As a result, to achieve further improvements in training performance, we must instead consider "strong scaling" strategies that hold the global batch size constant and allocate smaller batches to each GPU. Unfortunately, this makes it significantly more difficult to use cluster resources efficiently. We present DeepPool, a system that addresses this efficiency challenge through two key ideas. First, burst parallelism allocates large numbers of GPUs to foreground jobs in bursts to exploit the unevenness in parallelism across layers. Second, GPU multiplexing prioritizes throughput for foreground training jobs, while packing in background training jobs to reclaim underutilized GPU resources, thereby improving cluster-wide utilization. Together, these two ideas enable DeepPool to deliver a 1.2 - 2.3x improvement in total cluster throughput over standard data parallelism with a single task when the cluster scale is large.

Finding optimal paths in connected graphs requires determining the smallest total cost for traveling along the graph's edges. This problem can be solved by several classical algorithms where, usually, costs are predefined for all edges. Conventional planning methods can, thus, normally not be used when wanting to change costs in an adaptive way following the requirements of some task. Here we show that one can define a neural network representation of path finding problems by transforming cost values into synaptic weights, which allows for online weight adaptation using network learning mechanisms. When starting with an initial activity value of one, activity propagation in this network will lead to solutions, which are identical to those found by the Bellman Ford algorithm. The neural network has the same algorithmic complexity as Bellman Ford and, in addition, we can show that network learning mechanisms (such as Hebbian learning) can adapt the weights in the network augmenting the resulting paths according to some task at hand. We demonstrate this by learning to navigate in an environment with obstacles as well as by learning to follow certain sequences of path nodes. Hence, the here-presented novel algorithm may open up a different regime of applications where path-augmentation (by learning) is directly coupled with path finding in a natural way.

Accurate forecasting of multivariate time series is an extensively studied subject in finance, transportation, and computer science. Fully mining the correlation and causation between the variables in a multivariate time series exhibits noticeable results in improving the performance of a time series model. Recently, some models have explored the dependencies between variables through end-to-end graph structure learning without the need for predefined graphs. However, current models do not incorporate the trade-off between efficiency and flexibility and lack the guidance of domain knowledge in the design of graph structure learning algorithms. This paper alleviates the above issues by proposing Balanced Graph Structure Learning for Forecasting (BGSLF), a novel deep learning model that joins graph structure learning and forecasting. Technically, BGSLF leverages the spatial information into convolutional operations and extracts temporal dynamics using the diffusion convolutional recurrent network. The proposed framework balance the trade-off between efficiency and flexibility by introducing Multi-Graph Generation Network (MGN) and Graph Selection Module. In addition, a method named Smooth Sparse Unit (SSU) is designed to sparse the learned graph structures, which conforms to the sparse spatial correlations in the real world. Extensive experiments on four real-world datasets demonstrate that our model achieves state-of-the-art performances with minor trainable parameters. Code will be made publicly available.

This work theoretically studies stochastic neural networks, a main type of neural network in use. We prove that as the width of an optimized stochastic neural network tends to infinity, its predictive variance on the training set decreases to zero. Our theory justifies the common intuition that adding stochasticity to the model can help regularize the model by introducing an averaging effect. Two common examples that our theory can be relevant to are neural networks with dropout and Bayesian latent variable models in a special limit. Our result thus helps better understand how stochasticity affects the learning of neural networks and potentially design better architectures for practical problems.

Statistical power estimation for studies with multiple model parameters is inherently a multivariate problem. Power for individual parameters of interest cannot be reliably estimated univariately since correlation and variance explained relative to one parameter will impact the power for another parameter, all usual univariate considerations being equal. Explicit solutions in such cases, especially for models with many parameters, are either impractical or impossible to solve, leaving researchers to the prevailing method of simulating power. However, the point estimates for a vector of model parameters are uncertain, and the impact of inaccuracy is unknown. In such cases, sensitivity analysis is recommended such that multiple combinations of possible observable parameter vectors are simulated to understand power trade-offs. A limitation to this approach is that it is computationally expensive to generate sufficient sensitivity combinations to accurately map the power trade-off function in increasingly high-dimensional spaces for the models that social scientists estimate. This paper explores the efficient estimation and graphing of statistical power for a study over varying model parameter combinations. We propose a simple and generalizable machine learning inspired solution to cut the computational cost to less than 10% of the brute force method while providing F1 scores above 90%. We further motivate the impact of transfer learning in learning power manifolds across varying distributions.

We introduce a computational efficient data-driven framework suitable for quantifying the uncertainty in physical parameters and model formulation of computer models, represented by differential equations. We construct physics-informed priors, which are multi-output GP priors that encode the model's structure in the covariance function. We extend this into a fully Bayesian framework that quantifies the uncertainty of physical parameters and model predictions. Since physical models often are imperfect descriptions of the real process, we allow the model to deviate from the observed data by considering a discrepancy function. To obtain the posterior distributions, we use Hamiltonian Monte Carlo sampling. We demonstrate our approach in a simulation study with hemodynamical models, which are time-dependent differential equations. Data are simulated from a more complex model than our modelling choice, and the aim is to learn physical parameters according to known mathematical connections. To demonstrate the flexibility of our approach, an example using the Heat equation, a space-time dependent differential equation where we consider a case of a biased data-acquisition process is also included. Finally, we fit the hemodynamic model using real data obtained in a medical trial.

Knowledge graph embedding (KGE) has shown great potential in automatic knowledge graph (KG) completion and knowledge-driven tasks. However, recent KGE models suffer from high training cost and large storage space, thus limiting their practicality in real-world applications. To address this challenge, based on the latest findings in the field of Contrastive Learning, we propose a novel KGE training framework called Hardness-aware Low-dimensional Embedding (HaLE). Instead of the traditional Negative Sampling, we design a new loss function based on query sampling that can balance two important training targets, Alignment and Uniformity. Furthermore, we analyze the hardness-aware ability of recent low-dimensional hyperbolic models and propose a lightweight hardness-aware activation mechanism. The experimental results show that in the limited training time, HaLE can effectively improve the performance and training speed of KGE models on five commonly-used datasets. After training just a few minutes, the HaLE-trained models are competitive compared to the state-of-the-art models in both low- and high-dimensional conditions.

Muscle-actuated control is a research topic that spans multiple domains, including biomechanics, neuroscience, reinforcement learning, robotics, and graphics. This type of control is particularly challenging as bodies are often overactuated and dynamics are delayed and non-linear. It is however a very well tested and tuned actuation mechanism that has undergone millions of years of evolution with interesting properties exploiting passive forces and efficient energy storage of muscle-tendon units. To facilitate research on muscle-actuated simulation, we release a 3D musculoskeletal simulation of an ostrich based on the MuJoCo physics engine. The ostrich is one of the fastest bipeds on earth and therefore makes an excellent model for studying muscle-actuated bipedal locomotion. The model is based on CT scans and dissections used to collect actual muscle data, such as insertion sites, lengths, and pennation angles. Along with this model, we also provide a set of reinforcement learning tasks, including reference motion tracking, running, and neck control, used to infer muscle actuation patterns. The reference motion data is based on motion capture clips of various behaviors that we preprocessed and adapted to our model. This paper describes how the model was built and iteratively improved using the tasks. We also evaluate the accuracy of the muscle actuation patterns by comparing them to experimentally collected electromyographic data from locomoting birds. The results demonstrate the need for rich reward signals or regularization techniques to constrain muscle excitations and produce realistic movements. Overall, we believe that this work can provide a useful bridge between fields of research interested in muscle actuation.

The commercial availability of low-cost millimeter wave (mmWave) communication and radar devices is starting to improve the penetration of such technologies in consumer markets, paving the way for large-scale and dense deployments in fifth-generation (5G)-and-beyond as well as 6G networks. At the same time, pervasive mmWave access will enable device localization and device-free sensing with unprecedented accuracy, especially with respect to sub-6 GHz commercial-grade devices. This paper surveys the state of the art in device-based localization and device-free sensing using mmWave communication and radar devices, with a focus on indoor deployments. We first overview key concepts about mmWave signal propagation and system design. Then, we provide a detailed account of approaches and algorithms for localization and sensing enabled by mmWaves. We consider several dimensions in our analysis, including the main objectives, techniques, and performance of each work, whether each research reached some degree of implementation, and which hardware platforms were used for this purpose. We conclude by discussing that better algorithms for consumer-grade devices, data fusion methods for dense deployments, as well as an educated application of machine learning methods are promising, relevant and timely research directions.

We propose a data-driven approach to modeling the spatio-temporal characteristics of NAND flash memory read voltages using conditional generative networks. The learned model reconstructs read voltages from an individual memory cell based on the program levels of the cell and its surrounding cells, as well as the specified program/erase (P/E) cycling time stamp. We evaluate the model over a range of time stamps using the cell read voltage distributions, the cell level error rates, and the relative frequency of errors for patterns most susceptible to inter-cell interference (ICI) effects. We conclude that the model accurately captures the spatial and temporal features of the flash memory channel.

In Domain Generalization (DG) settings, models trained independently on a given set of training domains have notoriously chaotic performance on distribution shifted test domains, and stochasticity in optimization (e.g. seed) plays a big role. This makes deep learning models unreliable in real world settings. We first show that this chaotic behavior exists even along the training optimization trajectory of a single model, and propose a simple model averaging protocol that both significantly boosts domain generalization and diminishes the impact of stochasticity by improving the rank correlation between the in-domain validation accuracy and out-domain test accuracy, which is crucial for reliable early stopping. Taking advantage of our observation, we show that instead of ensembling unaveraged models (that is typical in practice), ensembling moving average models (EoA) from independent runs further boosts performance. We theoretically explain the boost in performance of ensembling and model averaging by adapting the well known Bias-Variance trade-off to the domain generalization setting. On the DomainBed benchmark, when using a pre-trained ResNet-50, this ensemble of averages achieves an average of $68.0\%$, beating vanilla ERM (w/o averaging/ensembling) by $\sim 4\%$, and when using a pre-trained RegNetY-16GF, achieves an average of $76.6\%$, beating vanilla ERM by $6\%$. Our code is available at \url{https://github.com/salesforce/ensemble-of-averages}.

Node clustering is a powerful tool in the analysis of networks. We introduce a graph neural network framework to obtain node embeddings for directed networks in a self-supervised manner, including a novel probabilistic imbalance loss, which can be used for network clustering. Here, we propose directed flow imbalance measures, which are tightly related to directionality, to reveal clusters in the network even when there is no density difference between clusters. In contrast to standard approaches in the literature, in this paper, directionality is not treated as a nuisance, but rather contains the main signal. DIGRAC optimizes directed flow imbalance for clustering without requiring label supervision, unlike existing graph neural network methods, and can naturally incorporate node features, unlike existing spectral methods. Extensive experimental results on synthetic data, in the form of directed stochastic block models, and real-world data at different scales, demonstrate that our method, based on flow imbalance, attains state-of-the-art results on directed graph clustering when compared against 10 state-of-the-art methods from the literature, for a wide range of noise and sparsity levels, graph structures and topologies, and even outperforms supervised methods.

Multimodal brain networks characterize complex connectivities among different brain regions from both structural and functional aspects and provide a new means for mental disease analysis. Recently, Graph Neural Networks (GNNs) have become a de facto model for analyzing graph-structured data. However, how to employ GNNs to extract effective representations from brain networks in multiple modalities remains rarely explored. Moreover, as brain networks provide no initial node features, how to design informative node attributes and leverage edge weights for GNNs to learn is left unsolved. To this end, we develop a novel multiview GNN for multimodal brain networks. In particular, we regard each modality as a view for brain networks and employ contrastive learning for multimodal fusion. Then, we propose a GNN model which takes advantage of the message passing scheme by propagating messages based on degree statistics and brain region connectivities. Extensive experiments on two real-world disease datasets (HIV and Bipolar) demonstrate the effectiveness of our proposed method over state-of-the-art baselines.

Unlike matrix completion, tensor completion does not have an algorithm that is known to achieve the information-theoretic sample complexity rate. This paper develops a new algorithm for the special case of completion for nonnegative tensors. We prove that our algorithm converges in a linear (in numerical tolerance) number of oracle steps, while achieving the information-theoretic rate. Our approach is to define a new norm for nonnegative tensors using the gauge of a particular 0-1 polytope; integer linear programming can, in turn, be used to solve linear separation problems over this polytope. We combine this insight with a variant of the Frank-Wolfe algorithm to construct our numerical algorithm, and we demonstrate its effectiveness and scalability through computational experiments using a laptop on tensors with up to one-hundred million entries.

Deep subspace clustering has attracted increasing attention in recent years. Almost all the existing works are required to load the whole training data into one batch for learning the self-expressive coefficients in the framework of deep learning. Although these methods achieve promising results, such a learning fashion severely prevents from the usage of deeper neural network architectures (e.g., ResNet), leading to the limited representation abilities of the models. In this paper, we propose a new deep subspace clustering framework, motivated by the energy-based models. In contrast to previous approaches taking the weights of a fully connected layer as the self-expressive coefficients, we propose to learn an energy-based network to obtain the self-expressive coefficients by mini-batch training. By this means, it is no longer necessary to load all data into one batch for learning, and it thus becomes a reality that we can utilize deeper neural network models for subspace clustering. Considering the powerful representation ability of the recently popular self-supervised learning, we attempt to leverage self-supervised representation learning to learn the dictionary. Finally, we propose a joint framework to learn both the self-expressive coefficients and dictionary simultaneously, and train the model in an end-to-end manner. The experiments are performed on three publicly available datasets, and extensive experimental results demonstrate our method can significantly outperform the other related approaches. For instance, on the three datasets, our method can averagely achieve $13.8\%$, $15.4\%$, $20.8\%$ improvements in terms of Accuracy, NMI, and ARI over SENet which is proposed very recently and obtains the second best results in the experiments.

The use of pessimism, when reasoning about datasets lacking exhaustive exploration has recently gained prominence in offline reinforcement learning. Despite the robustness it adds to the algorithm, overly pessimistic reasoning can be equally damaging in precluding the discovery of good policies, which is an issue for the popular bonus-based pessimism. In this paper, we introduce the notion of Bellman-consistent pessimism for general function approximation: instead of calculating a point-wise lower bound for the value function, we implement pessimism at the initial state over the set of functions consistent with the Bellman equations. Our theoretical guarantees only require Bellman closedness as standard in the exploratory setting, in which case bonus-based pessimism fails to provide guarantees. Even in the special case of linear function approximation where stronger expressivity assumptions hold, our result improves upon a recent bonus-based approach by $\mathcal{O}(d)$ in its sample complexity when the action space is finite. Remarkably, our algorithms automatically adapt to the best bias-variance tradeoff in the hindsight, whereas most prior approaches require tuning extra hyperparameters a priori.

We formulate an efficient approximation for multi-agent batch reinforcement learning, the approximated multi-agent fitted Q iteration (AMAFQI). We present a detailed derivation of our approach. We propose an iterative policy search and show that it yields a greedy policy with respect to multiple approximations of the centralized, learned Q-function. In each iteration and policy evaluation, AMAFQI requires a number of computations that scales linearly with the number of agents whereas the analogous number of computations increase exponentially for the fitted Q iteration (FQI), a commonly used approaches in batch reinforcement learning. This property of AMAFQI is fundamental for the design of a tractable multi-agent approach. We evaluate the performance of AMAFQI and compare it to FQI in numerical simulations. The simulations illustrate the significant computation time reduction when using AMAFQI instead of FQI in multi-agent problems and corroborate the similar performance of both approaches.

Motivated by the success of T5 (Text-To-Text Transfer Transformer) in pre-trained natural language processing models, we propose a unified-modal SpeechT5 framework that explores the encoder-decoder pre-training for self-supervised speech/text representation learning. The SpeechT5 framework consists of a shared encoder-decoder network and six modal-specific (speech/text) pre/post-nets. After preprocessing the input speech/text through the pre-nets, the shared encoder-decoder network models the sequence-to-sequence transformation, and then the post-nets generate the output in the speech/text modality based on the output of the decoder. Leveraging large-scale unlabeled speech and text data, we pre-train SpeechT5 to learn a unified-modal representation, hoping to improve the modeling capability for both speech and text. To align the textual and speech information into this unified semantic space, we propose a cross-modal vector quantization approach that randomly mixes up speech/text states with latent units as the interface between encoder and decoder. Extensive evaluations show the superiority of the proposed SpeechT5 framework on a wide variety of spoken language processing tasks, including automatic speech recognition, speech synthesis, speech translation, voice conversion, speech enhancement, and speaker identification. We release our code and model at https://github.com/microsoft/SpeechT5.

In this paper, we investigate the fundamental question: To what extent are gradient-based neural architecture search (NAS) techniques applicable to RL? Using the original DARTS as a convenient baseline, we discover that the discrete architectures found can achieve up to 250% performance compared to manual architecture designs on both discrete and continuous action space environments across off-policy and on-policy RL algorithms, at only 3x more computation time. Furthermore, through numerous ablation studies, we systematically verify that not only does DARTS correctly upweight operations during its supernet phrase, but also gradually improves resulting discrete cells up to 30x more efficiently than random search, suggesting DARTS is surprisingly an effective tool for improving architectures in RL.

High-resolution manometry (HRM) is the primary procedure used to diagnose esophageal motility disorders. Its interpretation and classification includes an initial evaluation of swallow-level outcomes and then derivation of a study-level diagnosis based on Chicago Classification (CC), using a tree-like algorithm. This diagnostic approach on motility disordered using HRM was mirrored using a multi-stage modeling framework developed using a combination of various machine learning approaches. Specifically, the framework includes deep-learning models at the swallow-level stage and feature-based machine learning models at the study-level stage. In the swallow-level stage, three models based on convolutional neural networks (CNNs) were developed to predict swallow type, swallow pressurization, and integrated relaxation pressure (IRP). At the study-level stage, model selection from families of the expert-knowledge-based rule models, xgboost models and artificial neural network(ANN) models were conducted, with the latter two model designed and augmented with motivation from the export knowledge. A simple model-agnostic strategy of model balancing motivated by Bayesian principles was utilized, which gave rise to model averaging weighted by precision scores. The averaged (blended) models and individual models were compared and evaluated, of which the best performance on test dataset is 0.81 in top-1 prediction, 0.92 in top-2 predictions. This is the first artificial-intelligence-style model to automatically predict CC diagnosis of HRM study from raw multi-swallow data. Moreover, the proposed modeling framework could be easily extended to multi-modal tasks, such as diagnosis of esophageal patients based on clinical data from both HRM and functional luminal imaging probe panometry (FLIP).

This work proposes an algorithmic framework to learn time-varying graphs from online data. The generality offered by the framework renders it model-independent, i.e., it can be theoretically analyzed in its abstract formulation and then instantiated under a variety of model-dependent graph learning problems. This is possible by phrasing (time-varying) graph learning as a composite optimization problem, where different functions regulate different desiderata, e.g., data fidelity, sparsity or smoothness. Instrumental for the findings is recognizing that the dependence of the majority (if not all) data-driven graph learning algorithms on the data is exerted through the empirical covariance matrix, representing a sufficient statistic for the estimation problem. Its user-defined recursive update enables the framework to work in non-stationary environments, while iterative algorithms building on novel time-varying optimization tools explicitly take into account the temporal dynamics, speeding up convergence and implicitly including a temporal-regularization of the solution. We specialize the framework to three well-known graph learning models, namely, the Gaussian graphical model (GGM), the structural equation model (SEM), and the smoothness-based model (SBM), where we also introduce ad-hoc vectorization schemes for structured matrices (symmetric, hollows, etc.) which are crucial to perform correct gradient computations, other than enabling to work in low-dimensional vector spaces and hence easing storage requirements. After discussing the theoretical guarantees of the proposed framework, we corroborate it with extensive numerical tests in synthetic and real data.

Machine learning systems generally assume that the training and testing distributions are the same. To this end, a key requirement is to develop models that can generalize to unseen distributions. Domain generalization (DG), i.e., out-of-distribution generalization, has attracted increasing interests in recent years. Domain generalization deals with a challenging setting where one or several different but related domain(s) are given, and the goal is to learn a model that can generalize to an unseen test domain. Great progress has been made in the area of domain generalization for years. This paper presents the first review of recent advances in this area. First, we provide a formal definition of domain generalization and discuss several related fields. We then thoroughly review the theories related to domain generalization and carefully analyze the theory behind generalization. We categorize recent algorithms into three classes: data manipulation, representation learning, and learning strategy, and present several popular algorithms in detail for each category. Third, we introduce the commonly used datasets, applications, and our open-sourced codebase for fair evaluation. Finally, we summarize existing literature and present some potential research topics for the future.

We study the problem of out-of-distribution dynamics (OODD) detection, which involves detecting when the dynamics of a temporal process change compared to the training-distribution dynamics. This is relevant to applications in control, reinforcement learning (RL), and multi-variate time-series, where changes to test time dynamics can impact the performance of learning controllers/predictors in unknown ways. This problem is particularly important in the context of deep RL, where learned controllers often overfit to the training environment. Currently, however, there is a lack of established OODD benchmarks for the types of environments commonly used in RL research. Our first contribution is to design a set of OODD benchmarks derived from common RL environments with varying types and intensities of OODD. Our second contribution is to design a strong OODD baseline approach based on recurrent implicit quantile network (RIQN), which monitors autoregressive prediction errors for OODD detection. In addition to RIQN, we introduce and test three other simpler baselines. Our final contribution is to evaluate our baseline approaches on the benchmarks to provide results for future comparison.

Large Language Models (LMs) are known to encode world knowledge in their parameters as they pretrain on a vast amount of web corpus, which is often utilized for performing knowledge-dependent downstream tasks such as question answering, fact-checking, and open dialogue. In real-world scenarios, the world knowledge stored in the LMs can quickly become outdated as the world changes, but it is non-trivial to avoid catastrophic forgetting and reliably acquire new knowledge while preserving invariant knowledge. To push the community towards better maintenance of ever-changing LMs, we formulate a new continual learning (CL) problem called Continual Knowledge Learning (CKL). We construct a new benchmark and metric to quantify the retention of time-invariant world knowledge, the update of outdated knowledge, and the acquisition of new knowledge. We adopt applicable recent methods from literature to create several strong baselines. Through extensive experiments, we find that CKL exhibits unique challenges that are not addressed in previous CL setups, where parameter expansion is necessary to reliably retain and learn knowledge simultaneously. By highlighting the critical causes of knowledge forgetting, we show that CKL is a challenging and important problem that helps us better understand and train ever-changing LMs. The benchmark datasets, evaluation script, and baseline code to reproduce our results are available at https://github.com/joeljang/continual-knowledge-learning.

Neural network pruning typically removes connections or neurons from a pretrained converged model; while a new pruning paradigm, pruning at initialization (PaI), attempts to prune a randomly initialized network. This paper offers the first survey concentrated on this emerging pruning fashion. We first introduce a generic formulation of neural network pruning, followed by the major classic pruning topics. Then, as the main body of this paper, a thorough and structured literature review of PaI methods is presented, consisting of two major tracks (sparse training and sparse selection). Finally, we summarize the surge of PaI compared to PaT and discuss the open problems. Apart from the dedicated literature review, this paper also offers a code base for easy sanity-checking and benchmarking of different PaI methods.

While classic studies proved that wide networks allow universal approximation, recent research and successes of deep learning demonstrate the power of deep networks. Based on a symmetric consideration, we investigate if the design of artificial neural networks should have a directional preference, and what the mechanism of interaction is between the width and depth of a network. Inspired by the De Morgan law, we address this fundamental question by establishing a quasi-equivalence between the width and depth of ReLU networks in two aspects. First, we formulate two transforms for mapping an arbitrary ReLU network to a wide network and a deep network respectively for either regression or classification so that the essentially same capability of the original network can be implemented. Then, we replace the mainstream artificial neuron type with a quadratic counterpart, and utilize the factorization and continued fraction representations of the same polynomial function to construct a wide network and a deep network, respectively. Based on our findings, a deep network has a wide equivalent, and vice versa, subject to an arbitrarily small error.

This paper addresses a fundamental question: how good are our current self-supervised visual representation learning algorithms relative to humans? More concretely, how much "human-like" natural visual experience would these algorithms need in order to reach human-level performance in a complex, realistic visual object recognition task such as ImageNet? Using a scaling experiment, here we estimate that the answer is several orders of magnitude longer than a human lifetime: typically on the order of a million to a billion years of natural visual experience (depending on the algorithm used). We obtain even larger estimates for achieving human-level performance in ImageNet-derived robustness benchmarks. The exact values of these estimates are sensitive to some underlying assumptions, however even in the most optimistic scenarios they remain orders of magnitude larger than a human lifetime. We discuss the main caveats surrounding our estimates and the implications of these surprising results.

To build general-purpose artificial intelligence systems that can deal with unknown variables across unknown domains, we need benchmarks that measure how well these systems perform on tasks they have never seen before. A prerequisite for this is a measure of a task's generalization difficulty, or how dissimilar it is from the system's prior knowledge and experience. If the skill of an intelligence system in a particular domain is defined as it's ability to consistently generate a set of instructions (or programs) to solve tasks in that domain, current benchmarks do not quantitatively measure the efficiency of acquiring new skills, making it possible to brute-force skill acquisition by training with unlimited amounts of data and compute power. With this in mind, we first propose a common language of instruction, a programming language that allows the expression of programs in the form of directed acyclic graphs across a wide variety of real-world domains and computing platforms. Using programs generated in this language, we demonstrate a match-based method to both score performance and calculate the generalization difficulty of any given set of tasks. We use these to define a numeric benchmark called the generalization index, or the g-index, to measure and compare the skill-acquisition efficiency of any intelligence system on a set of real-world tasks. Finally, we evaluate the suitability of some well-known models as general intelligence systems by calculating their g-index scores.

Molecular property prediction is one of the fastest-growing applications of deep learning with critical real-world impacts. Including 3D molecular structure as input to learned models improves their performance for many molecular tasks. However, this information is infeasible to compute at the scale required by several real-world applications. We propose pre-training a model to reason about the geometry of molecules given only their 2D molecular graphs. Using methods from self-supervised learning, we maximize the mutual information between 3D summary vectors and the representations of a Graph Neural Network (GNN) such that they contain latent 3D information. During fine-tuning on molecules with unknown geometry, the GNN still generates implicit 3D information and can use it to improve downstream tasks. We show that 3D pre-training provides significant improvements for a wide range of properties, such as a 22% average MAE reduction on eight quantum mechanical properties. Moreover, the learned representations can be effectively transferred between datasets in different molecular spaces.

This is a tutorial and survey paper on factor analysis, probabilistic Principal Component Analysis (PCA), variational inference, and Variational Autoencoder (VAE). These methods, which are tightly related, are dimensionality reduction and generative models. They assume that every data point is generated from or caused by a low-dimensional latent factor. By learning the parameters of distribution of latent space, the corresponding low-dimensional factors are found for the sake of dimensionality reduction. For their stochastic and generative behaviour, these models can also be used for generation of new data points in the data space. In this paper, we first start with variational inference where we derive the Evidence Lower Bound (ELBO) and Expectation Maximization (EM) for learning the parameters. Then, we introduce factor analysis, derive its joint and marginal distributions, and work out its EM steps. Probabilistic PCA is then explained, as a special case of factor analysis, and its closed-form solutions are derived. Finally, VAE is explained where the encoder, decoder and sampling from the latent space are introduced. Training VAE using both EM and backpropagation are explained.

Federated learning (FL) hyper-parameters significantly affect the training overheads in terms of computation time, transmission time, computation load, and transmission load. However, the current practice of manually selecting FL hyper-parameters puts a high burden on FL practitioners since various applications prefer different training preferences. In this paper, we propose FedTune, an automatic FL hyper-parameter tuning algorithm tailored to applications' diverse system requirements of FL training. FedTune is lightweight and flexible, achieving 8.48%-26.75% improvement for different datasets compared to fixed FL hyper-parameters.

Multi-output regression seeks to borrow strength and leverage commonalities across different but related outputs in order to enhance learning and prediction accuracy. A fundamental assumption is that the output/group membership labels for all observations are known. This assumption is often violated in real applications. For instance, in healthcare datasets, sensitive attributes such as ethnicity are often missing or unreported. To this end, we introduce a weakly-supervised multi-output model based on dependent Gaussian processes. Our approach is able to leverage data without complete group labels or possibly only prior belief on group memberships to enhance accuracy across all outputs. Through intensive simulations and case studies on an Insulin, Testosterone and Bodyfat dataset, we show that our model excels in multi-output settings with missing labels, while being competitive in traditional fully labeled settings. We end by highlighting the possible use of our approach in fair inference and sequential decision-making.

This paper presents the evaluation of the effects of image size on deep learning performance via semantic segmentation of magnetic resonance heart images with U-net for fully automated quantification of myocardial infarction. Both non-extra pixel and extra pixel interpolation algorithms are used to change the size of images in datasets of interest. Extra class labels, in interpolated ground truth segmentation images, are removed using thresholding, median filtering, and subtraction strategies. Common class metrics are used to evaluate the quality of semantic segmentation with U-net against the ground truth segmentation while arbitrary threshold, comparison of the sums, and sums of differences between medical experts and fully automated results are options used to estimate the relationship between medical experts-based quantification and fully automated quantification results.

A novel multi-task Gaussian process (GP) framework is proposed, by using a common mean process for sharing information across tasks. In particular, we investigate the problem of time series forecasting, with the objective to improve multiple-step-ahead predictions. The common mean process is defined as a GP for which the hyper-posterior distribution is tractable. Therefore an EM algorithm is derived for handling both hyper-parameters optimisation and hyper-posterior computation. Unlike previous approaches in the literature, the model fully accounts for uncertainty and can handle irregular grids of observations while maintaining explicit formulations, by modelling the mean process in a unified GP framework. Predictive analytical equations are provided, integrating information shared across tasks through a relevant prior mean. This approach greatly improves the predictive performances, even far from observations, and may reduce significantly the computational complexity compared to traditional multi-task GP models. Our overall algorithm is called \textsc{Magma} (standing for Multi tAsk Gaussian processes with common MeAn). The quality of the mean process estimation, predictive performances, and comparisons to alternatives are assessed in various simulated scenarios and on real datasets.

In machine learning, latent variables play a key role to capture the underlying structure of data, but they are often unsupervised. When we have side knowledge that already has high-level information about the input data, we can use that source to guide latent variables and capture the available background information in a process called "parameter injection." In that regard, we propose a semi-supervised information bottleneck-based model that enables the use of side knowledge, even if it is noisy and imperfect, to direct the learning of discrete latent variables. Fundamentally, we introduce an auxiliary continuous latent variable as a way to reparameterize the model's discrete variables with a light-weight hierarchical structure. With this reparameterization, the model's discrete latent variables are learned to minimize the mutual information between the observed data and optional side knowledge that is not already captured by the new, auxiliary variables. We theoretically show that our approach generalizes an existing method of parameter injection, and perform an empirical case study of our approach on language-based event modeling. We corroborate our theoretical results with strong empirical experiments, showing that the proposed method outperforms previous proposed approaches on multiple datasets.

In spatial statistics, a common objective is to predict values of a spatial process at unobserved locations by exploiting spatial dependence. Kriging provides the best linear unbiased predictor using covariance functions and is often associated with Gaussian processes. However, when considering non-linear prediction for non-Gaussian and categorical data, the Kriging prediction is no longer optimal, and the associated variance is often overly optimistic. Although deep neural networks (DNNs) are widely used for general classification and prediction, they have not been studied thoroughly for data with spatial dependence. In this work, we propose a novel DNN structure for spatial prediction, where the spatial dependence is captured by adding an embedding layer of spatial coordinates with basis functions. We show in theory and simulation studies that the proposed DeepKriging method has a direct link to Kriging in the Gaussian case, and it has multiple advantages over Kriging for non-Gaussian and non-stationary data, i.e., it provides non-linear predictions and thus has smaller approximation errors, it does not require operations on covariance matrices and thus is scalable for large datasets, and with sufficiently many hidden neurons, it provides the optimal prediction in terms of model capacity. We further explore the possibility of quantifying prediction uncertainties based on density prediction without assuming any data distribution. Finally, we apply the method to predicting PM2.5 concentrations across the continental United States.

The objective in a traditional reinforcement learning (RL) problem is to find a policy that optimizes the expected value of a performance metric such as the infinite-horizon cumulative discounted or long-run average cost/reward. In practice, optimizing the expected value alone may not be satisfactory, in that it may be desirable to incorporate the notion of risk into the optimization problem formulation, either in the objective or as a constraint. Various risk measures have been proposed in the literature, e.g., exponential utility, variance, percentile performance, chance constraints, value at risk (quantile), conditional value-at-risk, prospect theory and its later enhancement, cumulative prospect theory. In this book, we consider risk-sensitive RL in two settings: one where the goal is to find a policy that optimizes the usual expected value objective while ensuring that a risk constraint is satisfied, and the other where the risk measure is the objective. We survey some of the recent work in this area specifically where policy gradient search is the solution approach. In the first risk-sensitive RL setting, we cover popular risk measures based on variance, conditional value-at-risk, and chance constraints, and present a template for policy gradient-based risk-sensitive RL algorithms using a Lagrangian formulation. For the setting where risk is incorporated directly into the objective function, we consider an exponential utility formulation, cumulative prospect theory, and coherent risk measures. This non-exhaustive survey aims to give a flavor of the challenges involved in solving risk-sensitive RL problems using policy gradient methods, as well as outlining some potential future research directions.

In order to practically implement the door opening task, a policy ought to be robust to a wide distribution of door types and environment settings. Reinforcement Learning (RL) with Domain Randomization (DR) is a promising technique to enforce policy generalization, however, there are only a few accessible training environments that are inherently designed to train agents in domain randomized environments. We introduce DoorGym, an open-source door opening simulation framework designed to utilize domain randomization to train a stable policy. We intend for our environment to lie at the intersection of domain transfer, practical tasks, and realism. We also provide baseline Proximal Policy Optimization and Soft Actor-Critic implementations, which achieves success rates between 0% up to 95% for opening various types of doors in this environment. Moreover, the real-world transfer experiment shows the trained policy is able to work in the real world. Environment kit available here: https://github.com/PSVL/DoorGym/

In this paper, we consider the problem of power control for a wireless network with an arbitrarily time-varying topology, including the possible addition or removal of nodes. A data-driven design methodology that leverages graph neural networks (GNNs) is adopted in order to efficiently parametrize the power control policy mapping the channel state information (CSI) to transmit powers. The specific GNN architecture, known as random edge GNN (REGNN), defines a non-linear graph convolutional filter whose spatial weights are tied to the channel coefficients. While prior work assumed a joint training approach whereby the REGNN-based policy is shared across all topologies, this paper targets adaptation of the power control policy based on limited CSI data regarding the current topology. To this end, we propose a novel modular meta-learning technique that enables the efficient optimization of module assignment. While black-box meta-learning optimizes a general-purpose adaptation procedure via (stochastic) gradient descent, modular meta-learning finds a set of reusable modules that can form components of a solution for any new network topology. Numerical results validate the benefits of meta-learning for power control problems over joint training schemes, and demonstrate the advantages of modular meta-learning when data availability is extremely limited.

This work presents strategies to learn an Energy-Based Model (EBM) according to the desired length of its MCMC sampling trajectories. MCMC trajectories of different lengths correspond to models with different purposes. Our experiments cover three different trajectory magnitudes and learning outcomes: 1) shortrun sampling for image generation; 2) midrun sampling for classifier-agnostic adversarial defense; and 3) longrun sampling for principled modeling of image probability densities. To achieve these outcomes, we introduce three novel methods of MCMC initialization for negative samples used in Maximum Likelihood (ML) learning. With standard network architectures and an unaltered ML objective, our MCMC initialization methods alone enable significant performance gains across the three applications that we investigate. Our results include state-of-the-art FID scores for unnormalized image densities on the CIFAR-10 and ImageNet datasets; state-of-the-art adversarial defense on CIFAR-10 among purification methods and the first EBM defense on ImageNet; and scalable techniques for learning valid probability densities. Code for this project can be found at https://github.com/point0bar1/ebm-life-cycle.

Explicit antisymmetrization of a two-layer neural network is a potential candidate for a universal function approximator for generic antisymmetric functions, which are ubiquitous in quantum physics. However, this strategy suffers from a sign problem, namely, due to near exact cancellation of positive and negative contributions, the magnitude of the antisymmetrized function may be significantly smaller than that before antisymmetrization. We prove that the severity of the sign problem is directly related to the smoothness of the activation function. For smooth activation functions (e.g., $\tanh$), the sign problem of the explicitly antisymmetrized two-layer neural network deteriorates super-polynomially with respect to the system size. On the other hand, for rough activation functions (e.g., ReLU), the deterioration rate of the sign problem can be tamed to be at most polynomial with respect to the system size. Finally, the cost of a direct implementation of antisymmetrized two-layer neural network scales factorially with respect to the system size. We describe an efficient algorithm for approximate evaluation of such a network, of which the cost scales polynomially with respect to the system size and inverse precision.

Machine learning (ML) models have been applied to a wide range of natural language processing (NLP) tasks in recent years. In addition to making accurate decisions, the necessity of understanding how models make their decisions has become apparent in many applications. To that end, many interpretability methods that help explain the decision processes of ML models have been developed. Yet, there currently exists no widely-accepted metric to evaluate the quality of explanations generated by these methods. As a result, there currently is no standard way of measuring to what degree an interpretability method achieves an intended objective. Moreover, there is no accepted standard of performance by which we can compare and rank the current existing interpretability methods. In this paper, we propose a novel metric for quantifying the quality of explanations generated by interpretability methods. We compute the metric on three NLP tasks using six interpretability methods and present our results.

The score-based query attacks (SQAs) pose practical threats to deep neural networks by crafting adversarial perturbations within dozens of queries, only using the model's output scores. Nonetheless, we note that if the loss trend of the outputs is slightly perturbed, SQAs could be easily misled and thereby become much less effective. Following this idea, we propose a novel defense, namely Adversarial Attack on Attackers (AAA), to confound SQAs towards incorrect attack directions by slightly modifying the output logits. In this way, (1) SQAs are prevented regardless of the model's worst-case robustness; (2) the original model predictions are hardly changed, i.e., no degradation on clean accuracy; (3) the calibration of confidence scores can be improved simultaneously. Extensive experiments are provided to verify the above advantages. For example, by setting $\ell_\infty=8/255$ on CIFAR-10, our proposed AAA helps WideResNet-28 secure $80.59\%$ accuracy under Square attack ($2500$ queries), while the best prior defense (i.e., adversarial training) only attains $67.44\%$. Since AAA attacks SQA's general greedy strategy, such advantages of AAA over 8 defenses can be consistently observed on 8 CIFAR-10/ImageNet models under 6 SQAs, using different attack targets and bounds. Moreover, AAA calibrates better without hurting the accuracy. Our code would be released.

This paper studies asynchronous message passing (AMP), a new paradigm for applying neural network based learning to graphs. Existing graph neural networks use the synchronous distributed computing model and aggregate their neighbors in each round, which causes problems such as oversmoothing and limits their expressiveness. On the other hand, AMP is based on the asynchronous model, where nodes react to messages of their neighbors individually. We prove that (i) AMP can simulate synchronous GNNs and that (ii) AMP can theoretically distinguish any pair of graphs. We experimentally validate AMP's expressiveness. Further, we show that AMP might be better suited to propagate messages over large distances in graphs and performs well on several graph classification benchmarks.

Unlearnable examples (ULEs) aim to protect data from unauthorized usage for training DNNs. Error-minimizing noise, which is injected to clean data, is one of the most successful methods for preventing DNNs from giving correct predictions on incoming new data. Nonetheless, under specific training strategies such as adversarial training, the unlearnability of error-minimizing noise will severely degrade. In addition, the transferability of error-minimizing noise is inherently limited by the mismatch between the generator model and the targeted learner model. In this paper, we investigate the mechanism of unlearnable examples and propose a novel model-free method, named \emph{One-Pixel Shortcut}, which only perturbs a single pixel of each image and makes the dataset unlearnable. Our method needs much less computational cost and obtains stronger transferability and thus can protect data from a wide range of different models. Based on this, we further introduce the first unlearnable dataset called CIFAR-10-S, which is indistinguishable from normal CIFAR-10 by human observers and can serve as a benchmark for different models or training strategies to evaluate their abilities to extract critical features from the disturbance of non-semantic representations. The original error-minimizing ULEs will lose efficiency under adversarial training, where the model can get over 83\% clean test accuracy. Meanwhile, even if adversarial training and strong data augmentation like RandAugment are applied together, the model trained on CIFAR-10-S cannot get over 50\% clean test accuracy.

We propose a notion of common information that allows one to quantify and separate the information that is shared between two random variables from the information that is unique to each. Our notion of common information is a variational relaxation of the G\'acs-K\"orner common information, which we recover as a special case, but is more amenable to optimization and can be approximated empirically using samples from the underlying distribution. We then provide a method to partition and quantify the common and unique information using a simple modification of a traditional variational auto-encoder. Empirically, we demonstrate that our formulation allows us to learn semantically meaningful common and unique factors of variation even on high-dimensional data such as images and videos. Moreover, on datasets where ground-truth latent factors are known, we show that we can accurately quantify the common information between the random variables. Additionally, we show that the auto-encoder that we learn recovers semantically meaningful disentangled factors of variation, even though we do not explicitly optimize for it.

Federated learning (FL) is emerging as a privacy-aware alternative to classical cloud-based machine learning. In FL, the sensitive data remains in data silos and only aggregated parameters are exchanged. Hospitals and research institutions which are not willing to share their data can join a federated study without breaching confidentiality. In addition to the extreme sensitivity of biomedical data, the high dimensionality poses a challenge in the context of federated genome-wide association studies (GWAS). In this article, we present a federated singular value decomposition (SVD) algorithm, suitable for the privacy-related and computational requirements of GWAS. Notably, the algorithm has a transmission cost independent of the number of samples and is only weakly dependent on the number of features, because the singular vectors associated with the samples are never exchanged and the vectors associated with the features only for a fixed number of iterations. Although motivated by GWAS, the algorithm is generically applicable for both horizontally and vertically partitioned data.

Vision-and-language (V&L) models pretrained on large-scale multimodal data have demonstrated strong performance on various tasks such as image captioning and visual question answering (VQA). The quality of such models is commonly assessed by measuring their performance on unseen data that typically comes from the same distribution as the training data. However, we observe that these models exhibit poor out-of-distribution (OOD) generalization on the task of VQA. To better understand the underlying causes of poor generalization, we comprehensively investigate performance of two pretrained V&L models under different settings (i.e. classification and open-ended text generation) by conducting cross-dataset evaluations. We find that these models tend to learn to solve the benchmark, rather than learning the high-level skills required by the VQA task. We also argue that in most cases generative models are less susceptible to shifts in data distribution, while frequently performing better on our tested benchmarks. Moreover, we find that multimodal pretraining improves OOD performance in most settings. Finally, we revisit assumptions underlying the use of automatic VQA evaluation metrics, and empirically show that their stringent nature repeatedly penalizes models for correct responses.

Traditionally, extracting patterns from eye movement data relies on statistics of different macro-events such as fixations and saccades. This requires an additional preprocessing step to separate the eye movement subtypes, often with a number of parameters on which the classification results depend. Besides that, definitions of such macro events are formulated in different ways by different researchers. We propose an application of a new class of features to the quantitative analysis of personal eye movement trajectories structure. This new class of features based on algebraic topology allows extracting patterns from different modalities of gaze such as time series of coordinates and amplitudes, heatmaps, and point clouds in a unified way at all scales from micro to macro. We experimentally demonstrate the competitiveness of the new class of features with the traditional ones and their significant synergy while being used together for the person authentication task on the recently published eye movement trajectories dataset.

Compressive spectral imaging (CSI) has attracted significant attention since it employs synthetic apertures to codify spatial and spectral information, sensing only 2D projections of the 3D spectral image. However, these optical architectures suffer from a trade-off between the spatial and spectral resolution of the reconstructed image due to technology limitations. To overcome this issue, compressive spectral image fusion (CSIF) employs the projected measurements of two CSI architectures with different resolutions to estimate a high-spatial high-spectral resolution. This work presents the fusion of the compressive measurements of a low-spatial high-spectral resolution coded aperture snapshot spectral imager (CASSI) architecture and a high-spatial low-spectral resolution multispectral color filter array (MCFA) system. Unlike previous CSIF works, this paper proposes joint optimization of the sensing architectures and a reconstruction network in an end-to-end (E2E) manner. The trainable optical parameters are the coded aperture (CA) in the CASSI and the colored coded aperture in the MCFA system, employing a sigmoid activation function and regularization function to encourage binary values on the trainable variables for an implementation purpose. Additionally, an unrolling-based network inspired by the alternating direction method of multipliers (ADMM) optimization is formulated to address the reconstruction step and the acquisition systems design jointly. Finally, a spatial-spectral inspired loss function is employed at the end of each unrolling layer to increase the convergence of the unrolling network. The proposed method outperforms previous CSIF methods, and experimental results validate the method with real measurements.

Transformer-based models have delivered impressive results on many tasks, particularly vision and language tasks. In many model training situations, conventional configurations are typically adopted. For example, we often set the base model with hidden dimensions (i.e. model width) to be 768 and the number of transformer layers (i.e. model depth) to be 12. In this paper, we revisit these conventional configurations. Through theoretical analysis and experimental evaluation, we show that the masked autoencoder is effective in alleviating the over-smoothing issue in deep transformer training. Based on this finding, we propose Bamboo, an idea of using deeper and narrower transformer configurations, for masked autoencoder training. On ImageNet, with such a simple change in configuration, re-designed model achieves 87.1% top-1 accuracy and outperforms SoTA models like MAE and BEiT. On language tasks, re-designed model outperforms BERT with default setting by 1.1 points on average, on GLUE datasets.

Fairness and bias are crucial concepts in artificial intelligence, yet they are relatively ignored in machine learning applications in clinical psychiatry. We computed fairness metrics and present bias mitigation strategies using a model trained on clinical mental health data. We collected structured data related to the admission, diagnosis, and treatment of patients in the psychiatry department of the University Medical Center Utrecht. We trained a machine learning model to predict future administrations of benzodiazepines on the basis of past data. We found that gender plays an unexpected role in the predictions-this constitutes bias. Using the AI Fairness 360 package, we implemented reweighing and discrimination-aware regularization as bias mitigation strategies, and we explored their implications for model performance. This is the first application of bias exploration and mitigation in a machine learning model trained on real clinical psychiatry data.

We consider the so-called Independent Cascade Model for rumor spreading or epidemic processes popularized by Kempe et al.\ [2003]. In this model, a small subset of nodes from a network are the source of a rumor. In discrete time steps, each informed node "infects" each of its uninformed neighbors with probability $p$. While many facets of this process are studied in the literature, less is known about the inference problem: given a number of infected nodes in a network, can we learn the source of the rumor? In the context of epidemiology this problem is often referred to as patient zero problem. It belongs to a broader class of problems where the goal is to infer parameters of the underlying spreading model, see, e.g., Lokhov [NeurIPS'16] or Mastakouri et al. [NeurIPS'20]. In this work we present a maximum likelihood estimator for the rumor's source, given a snapshot of the process in terms of a set of active nodes $X$ after $t$ steps. Our results show that, for cycle-free graphs, the likelihood estimator undergoes a non-trivial phase transition as a function $t$. We provide a rigorous analysis for two prominent classes of acyclic network, namely $d$-regular trees and Galton-Watson trees, and verify empirically that our heuristics work well in various general networks.

Deep neural networks generally perform poorly with datasets that suffer from quantity imbalance and classification difficulty imbalance between different classes. In order to alleviate the problem of dataset bias or domain shift in the existing two-stage approaches, a phased progressive learning schedule was proposed for smoothly transferring the training emphasis from representation learning to upper classifier training. This has greater effectivity on datasets that have more severe imbalances or smaller scales. A coupling-regulation-imbalance loss function was designed, coupling a correction term, Focal loss and LDAM loss. Coupling-regulation-imbalance loss can better deal with quantity imbalance and outliers, while regulating focus-of-attention of samples with a variety of classification difficulties. Excellent results were achieved on multiple benchmark datasets using these approaches and they can be easily generalized for other imbalanced classification models. Our code will be open source soon.

We analyze graph smoothing with \emph{mean aggregation}, where each node successively receives the average of the features of its neighbors. Indeed, it has quickly been observed that Graph Neural Networks (GNNs), which generally follow some variant of Message-Passing (MP) with repeated aggregation, may be subject to the \emph{oversmoothing} phenomenon: by performing too many rounds of MP, the node features tend to converge to a non-informative limit. In the case of mean aggregation, for connected graphs, the node features become constant across the whole graph. At the other end of the spectrum, it is intuitively obvious that \emph{some} MP rounds are necessary, but existing analyses do not exhibit both phenomena at once: beneficial ``finite'' smoothing and oversmoothing in the limit. In this paper, we consider simplified linear GNNs, and rigorously analyze two examples for which a finite number of mean aggregation steps provably improves the learning performance, before oversmoothing kicks in. We consider a latent space random graph model, where node features are partial observations of the latent variables and the graph contains pairwise relationships between them. We show that graph smoothing restores some of the lost information, up to a certain point, by two phenomenon: graph smoothing shrinks non-principal directions in the data faster than principal ones, which is useful for regression, and shrinks nodes within communities faster than they collapse together, which improves classification.

Deep transfer learning techniques try to tackle the limitations of deep learning, the dependency on extensive training data and the training costs, by reusing obtained knowledge. However, the current DTL techniques suffer from either catastrophic forgetting dilemma (losing the previously obtained knowledge) or overly biased pre-trained models (harder to adapt to target data) in finetuning pre-trained models or freezing a part of the pre-trained model, respectively. Progressive learning, a sub-category of DTL, reduces the effect of the overly biased model in the case of freezing earlier layers by adding a new layer to the end of a frozen pre-trained model. Even though it has been successful in many cases, it cannot yet handle distant source and target data. We propose a new continual/progressive learning approach for deep transfer learning to tackle these limitations. To avoid both catastrophic forgetting and overly biased-model problems, we expand the pre-trained model by expanding pre-trained layers (adding new nodes to each layer) in the model instead of only adding new layers. Hence the method is named EXPANSE. Our experimental results confirm that we can tackle distant source and target data using this technique. At the same time, the final model is still valid on the source data, achieving a promising deep continual learning approach. Moreover, we offer a new way of training deep learning models inspired by the human education system. We termed this two-step training: learning basics first, then adding complexities and uncertainties. The evaluation implies that the two-step training extracts more meaningful features and a finer basin on the error surface since it can achieve better accuracy in comparison to regular training. EXPANSE (model expansion and two-step training) is a systematic continual learning approach applicable to different problems and DL models.

We present an upper bound for the Single Channel Speech Separation task, which is based on an assumption regarding the nature of short segments of speech. Using the bound, we are able to show that while the recent methods have made significant progress for a few speakers, there is room for improvement for five and ten speakers. We then introduce a Deep neural network, SepIt, that iteratively improves the different speakers' estimation. At test time, SpeIt has a varying number of iterations per test sample, based on a mutual information criterion that arises from our analysis. In an extensive set of experiments, SepIt outperforms the state-of-the-art neural networks for 2, 3, 5, and 10 speakers.

Creating presentation slides is a critical but time-consuming task for data scientists. While researchers have proposed many AI techniques to lift data scientists' burden on data preparation and model selection, few have targeted the presentation creation task. Based on the needs identified from a formative study, this paper presents NB2Slides, an AI system that facilitates users to compose presentations of their data science work. NB2Slides uses deep learning methods as well as example-based prompts to generate slides from computational notebooks, and take users' input (e.g., audience background) to structure the slides. NB2Slides also provides an interactive visualization that links the slides with the notebook to help users further edit the slides. A follow-up user evaluation with 12 data scientists shows that participants believed NB2Slides can improve efficiency and reduces the complexity of creating slides. Yet, participants questioned the future of full automation and suggested a human-AI collaboration paradigm.

With the rapid growth of memory and computing power, datasets are becoming increasingly complex and imbalanced. This is especially severe in the context of clinical data, where there may be one rare event for many cases in the majority class. We introduce an imbalanced classification framework, based on reinforcement learning, for training extremely imbalanced data sets, and extend it for use in multi-class settings. We combine dueling and double deep Q-learning architectures, and formulate a custom reward function and episode-training procedure, specifically with the added capability of handling multi-class imbalanced training. Using real-world clinical case studies, we demonstrate that our proposed framework outperforms current state-of-the-art imbalanced learning methods, achieving more fair and balanced classification, while also significantly improving the prediction of minority classes.

The paper describes the open Russian medical language understanding benchmark covering several task types (classification, question answering, natural language inference, named entity recognition) on a number of novel text sets. Given the sensitive nature of the data in healthcare, such a benchmark partially closes the problem of Russian medical dataset absence. We prepare the unified format labeling, data split, and evaluation metrics for new tasks. The remaining tasks are from existing datasets with a few modifications. A single-number metric expresses a model's ability to cope with the benchmark. Moreover, we implement several baseline models, from simple ones to neural networks with transformer architecture, and release the code. Expectedly, the more advanced models yield better performance, but even a simple model is enough for a decent result in some tasks. Furthermore, for all tasks, we provide a human evaluation. Interestingly the models outperform humans in the large-scale classification tasks. However, the advantage of natural intelligence remains in the tasks requiring more knowledge and reasoning.

Leveraging graphs on recommender systems has gained popularity with the development of graph representation learning (GRL). In particular, knowledge graph embedding (KGE) and graph neural networks (GNNs) are representative GRL approaches, which have achieved the state-of-the-art performance on several recommendation tasks. Furthermore, combination of KGE and GNNs (KG-GNNs) has been explored and found effective in many academic literatures. One of the main characteristics of GNNs is their ability to retain structural properties among neighbors in the resulting dense representation, which is usually coined as smoothing. The smoothing is specially desired in the presence of homophilic graphs, such as the ones we find on recommender systems. In this paper, we propose a new model for recommender systems named Knowledge Query-based Graph Convolution (KQGC). In contrast to exisiting KG-GNNs, KQGC focuses on the smoothing, and leverages a simple linear graph convolution for smoothing KGE. A pre-trained KGE is fed into KQGC, and it is smoothed by aggregating neighbor knowledge queries, which allow entity-embeddings to be aligned on appropriate vector points for smoothing KGE effectively. We apply the proposed KQGC to a recommendation task that aims prospective users for specific products. Extensive experiments on a real E-commerce dataset demonstrate the effectiveness of KQGC.

Coreset selection, which aims to select a subset of the most informative training samples, is a long-standing learning problem that can benefit many downstream tasks such as data-efficient learning, continual learning, neural architecture search, active learning, etc. However, many existing coreset selection methods are not designed for deep learning, which may have high complexity and poor generalization performance. In addition, the recently proposed methods are evaluated on models, datasets, and settings of different complexities. To advance the research of coreset selection in deep learning, we contribute a comprehensive code library, namely DeepCore, and provide an empirical study on popular coreset selection methods on CIFAR10 and ImageNet datasets. Extensive experiments on CIFAR10 and ImageNet datasets verify that, although various methods have advantages in certain experiment settings, random selection is still a strong baseline.

Test Input Prioritizers (TIP) for Deep Neural Networks (DNN) are an important technique to handle the typically very large test datasets efficiently, saving computation and labeling costs. This is particularly true for large-scale, deployed systems, where inputs observed in production are recorded to serve as potential test or training data for the next versions of the system. Feng et. al. propose DeepGini, a very fast and simple TIP, and show that it outperforms more elaborate techniques such as neuron- and surprise coverage. In a large-scale study (4 case studies, 8 test datasets, 32'200 trained models) we verify their findings. However, we also find that other comparable or even simpler baselines from the field of uncertainty quantification, such as the predicted softmax likelihood or the entropy of the predicted softmax likelihoods perform equally well as DeepGini.

Substantial efforts have been applied to engineer CA with desired emergent properties, such as supporting gliders. Recent work in continuous CA has generated a wide variety of compelling bioreminiscent patterns, and the expansion of CA research into continuously-valued domains, multiple channels, and higher dimensions complicates their study. In this work we devise a strategy for evolving CA and CA patterns in two steps, based on the simple idea that CA are likely to be complex and computationally capable if they support patterns that grow indefinitely as well as patterns that vanish completely, and are difficult to predict the difference in advance. The second part of our strategy evolves patterns by selecting for mobility and conservation of mean cell value. We validate our pattern evolution method by re-discovering gliders in 17 of 17 Lenia CA, and also report 4 new evolved CA and 1 randomly evolved CA that support novel evolved glider patterns. The CA reported here share neighborhood kernels with previously described Lenia CA, but exhibit a wider range of typical dynamics than their Lenia counterparts. Code for evolving continuous CA is made available under an MIT License (https://github.com/rivesunder/yuca).

In this work, we address the problem of learning provably stable neural network policies for stochastic control systems. While recent work has demonstrated the feasibility of certifying given policies using martingale theory, the problem of how to learn such policies is little explored. Here, we study the effectiveness of jointly learning a policy together with a martingale certificate that proves its stability using a single learning algorithm. We observe that the joint optimization problem becomes easily stuck in local minima when starting from a randomly initialized policy. Our results suggest that some form of pre-training of the policy is required for the joint optimization to repair and verify the policy successfully.

Contrastive learning is a highly effective method for learning representations from unlabeled data. Recent works show that contrastive representations can transfer across domains, leading to simple state-of-the-art algorithms for unsupervised domain adaptation. In particular, a linear classifier trained to separate the representations on the source domain can also predict classes on the target domain accurately, even though the representations of the two domains are far from each other. We refer to this phenomenon as linear transferability. This paper analyzes when and why contrastive representations exhibit linear transferability in a general unsupervised domain adaptation setting. We prove that linear transferability can occur when data from the same class in different domains (e.g., photo dogs and cartoon dogs) are more related with each other than data from different classes in different domains (e.g., photo dogs and cartoon cats) are. Our analyses are in a realistic regime where the source and target domains can have unbounded density ratios and be weakly related, and they have distant representations across domains.

This work proposes an algorithm for fMRI data analysis for the classification of ADHD disorders. There have been several breakthroughs in the analysis of fMRI via 3D convolutional neural networks (CNNs). With these new techniques it is possible to preserve the 3D spatial data of fMRI data. Additionally there have been recent advances in the use of 3D generative adversarial neural networks (GANs) for the generation of normal MRI data. This work utilizes multi modal 3D CNNs with data augmentation from 3D GAN for ADHD prediction from fMRI. By leveraging a 3D-GAN it would be possible to use deepfake data to enhance the accuracy of 3D CNN classification of brain disorders. A comparison will be made between a time distributed single modal 3D CNN model for classification and the modified multi modal model with MRI data as well.

Learning neural networks using only a small amount of data is an important ongoing research topic with tremendous potential for applications. In this paper, we introduce a regularizer for the variational modeling of inverse problems in imaging based on normalizing flows. Our regularizer, called patchNR, involves a normalizing flow learned on patches of very few images. The subsequent reconstruction method is completely unsupervised and the same regularizer can be used for different forward operators acting on the same class of images. By investigating the distribution of patches versus those of the whole image class, we prove that our variational model is indeed a MAP approach. Our model can be generalized to conditional patchNRs, if additional supervised information is available. Numerical examples for low-dose CT, limited-angle CT and superresolution of material images demonstrate that our method provides high quality results among unsupervised methods, but requires only few data.

With the rapid development of the Metaverse, virtual humans have emerged, and human image synthesis and editing techniques, such as pose transfer, have recently become popular. Most of the existing techniques rely on GANs, which can generate good human images even with large variants and occlusions. But from our best knowledge, the existing state-of-the-art method still has the following problems: the first is that the rendering effect of the synthetic image is not realistic, such as poor rendering of some regions. And the second is that the training of GAN is unstable and slow to converge, such as model collapse. Based on the above two problems, we propose several methods to solve them. To improve the rendering effect, we use the Residual Fast Fourier Transform Block to replace the traditional Residual Block. Then, spectral normalization and Wasserstein distance are used to improve the speed and stability of GAN training. Experiments demonstrate that the methods we offer are effective at solving the problems listed above, and we get state-of-the-art scores in LPIPS and PSNR.

Along with the popularity of Artificial Intelligence (AI) and Internet-of-Things (IoT), Federated Learning (FL) has attracted steadily increasing attentions as a promising distributed machine learning paradigm, which enables the training of a central model on for numerous decentralized devices without exposing their privacy. However, due to the biased data distributions on involved devices, FL inherently suffers from low classification accuracy in non-IID scenarios. Although various device grouping method have been proposed to address this problem, most of them neglect both i) distinct data distribution characteristics of heterogeneous devices, and ii) contributions and hazards of local models, which are extremely important in determining the quality of global model aggregation. In this paper, we present an effective FL method named FedEntropy with a novel dynamic device grouping scheme, which makes full use of the above two factors based on our proposed maximum entropy judgement heuristic.Unlike existing FL methods that directly aggregate local models returned from all the selected devices, in one FL round FedEntropy firstly makes a judgement based on the pre-collected soft labels of selected devices and then only aggregates the local models that can maximize the overall entropy of these soft labels. Without collecting local models that are harmful for aggregation, FedEntropy can effectively improve global model accuracy while reducing the overall communication overhead. Comprehensive experimental results on well-known benchmarks show that, FedEntropy not only outperforms state-of-the-art FL methods in terms of model accuracy and communication overhead, but also can be integrated into them to enhance their classification performance.

Cognitive psychologists often use the term $\textit{fluid intelligence}$ to describe the ability of humans to solve novel tasks without any prior training. In contrast to humans, deep neural networks can perform cognitive tasks only after extensive (pre-)training with a large number of relevant examples. Motivated by fluid intelligence research in the cognitive sciences, we built a benchmark task which we call sequence consistency evaluation (SCE) that can be used to address this gap. Solving the SCE task requires the ability to extract simple rules from sequences, a basic computation that is required for solving various intelligence tests in humans. We tested $\textit{untrained}$ (naive) deep learning models in the SCE task. Specifically, we compared Relation Networks (RN) and Contrastive Predictive Coding (CPC), two models that can extract simple rules from sequences, and found that the latter, which imposes a structure on the predictable rule does better. We further found that simple networks fare better in this task than complex ones. Finally, we show that this approach can be used for security camera anomaly detection without any prior training.

In recent years, decentralized learning has emerged as a powerful tool not only for large-scale machine learning, but also for preserving privacy. One of the key challenges in decentralized learning is that the data distribution held by each node is statistically heterogeneous. To address this challenge, the primal-dual algorithm called the Edge-Consensus Learning (ECL) was proposed and was experimentally shown to be robust to the heterogeneity of data distributions. However, the convergence rate of the ECL is provided only when the objective function is convex, and has not been shown in a standard machine learning setting where the objective function is non-convex. Furthermore, the intuitive reason why the ECL is robust to the heterogeneity of data distributions has not been investigated. In this work, we first investigate the relationship between the ECL and Gossip algorithm and show that the update formulas of the ECL can be regarded as correcting the local stochastic gradient in the Gossip algorithm. Then, we propose the Generalized ECL (G-ECL), which contains the ECL as a special case, and provide the convergence rates of the G-ECL in both (strongly) convex and non-convex settings, which do not depend on the heterogeneity of data distributions. Through synthetic experiments, we demonstrate that the numerical results of both the G-ECL and ECL coincide with the convergence rate of the G-ECL.

Adversarial training, originally designed to resist test-time adversarial examples, has shown to be promising in mitigating training-time availability attacks. This defense ability, however, is challenged in this paper. We identify a novel threat model named stability attacks, which aims to hinder robust availability by slightly manipulating the training data. Under this threat, we show that adversarial training using a conventional defense budget $\epsilon$ provably fails to provide test robustness in a simple statistical setting, where the non-robust features of the training data can be reinforced by $\epsilon$-bounded perturbation. Further, we analyze the necessity of enlarging the defense budget to counter stability attacks. Finally, comprehensive experiments demonstrate that stability attacks are harmful on benchmark datasets, and thus the adaptive defense is necessary to maintain robustness.

Helical acquisition geometry is the most common geometry used in computed tomography (CT) scanners for medical imaging. We adapt the invertible Learned Primal-Dual (iLPD) deep neural network architecture so that it can be applied to helical 3D CT reconstruction. We achieve this by splitting the geometry and the data in parts that fit the memory and by splitting images into corresponding sub-volumes. The architecture can be applied to images different in size along the rotation axis. We perform the experiments on tomographic data simulated from realistic helical geometries.

In this paper we show that neural ODE analogs of recurrent (ODE-RNN) and Long Short-Term Memory (ODE-LSTM) networks can be algorithmically embeddeded into the class of polynomial systems. This embedding preserves input-output behavior and can suitably be extended to other neural DE architectures. We then use realization theory of polynomial systems to provide necessary conditions for an input-output map to be realizable by an ODE-LSTM and sufficient conditions for minimality of such systems. These results represent the first steps towards realization theory of recurrent neural ODE architectures, which is is expected be useful for model reduction and learning algorithm analysis of recurrent neural ODEs.

Human ratings are treated as the gold standard in NLG evaluation. The standard protocol is to collect ratings of generated text, average across annotators, and then rank NLG systems by their average scores. However, little consideration has been given as to whether this approach faithfully captures human preferences. In this work, we analyze this standard protocol through the lens of utility theory in economics. We first identify the implicit assumptions it makes about annotators and find that these assumptions are often violated in practice, in which case annotator ratings become an unfaithful reflection of their preferences. The most egregious violations come from using Likert scales, which provably reverse the direction of the true preference in certain cases. We suggest improvements to the standard protocol to make it more theoretically sound, but even in its improved form, it cannot be used to evaluate open-ended tasks like story generation. For the latter, we propose a new evaluation protocol called $\textit{system-level probabilistic assessment}$ (SPA). In our experiments, we find that according to SPA, annotators prefer larger GPT-3 variants to smaller ones -- as expected -- with all comparisons being statistically significant. In contrast, the standard protocol only yields significant results half the time.

Most machine learning methods depend on the tuning of hyper-parameters. For kernel ridge regression (KRR) with the Gaussian kernel, the hyper-parameter is the bandwidth. The bandwidth specifies the length-scale of the kernel and has to be carefully selected in order to obtain a model with good generalization. The default method for bandwidth selection is cross-validation, which often yields good results, albeit at high computational costs. Furthermore, the estimates provided by cross-validation tend to have very high variance, especially when training data are scarce. Inspired by Jacobian regularization, we formulate how the derivatives of the functions inferred by KRR with the Gaussian kernel depend on the kernel bandwidth. We then use this expression to propose a closed-form, computationally feather-light, bandwidth selection method based on controlling the Jacobian. In addition, the Jacobian expression illuminates how the bandwidth selection is a trade-off between the smoothness of the inferred function, and the conditioning of the training data kernel matrix. We show on real and synthetic data that compared to cross-validation, our method is considerably more stable in terms of bandwidth selection, and, for small data sets, provides better predictions.

The massive trend of integrating data-driven AI capabilities into traditional software systems is rising new intriguing challenges. One of such challenges is achieving a smooth transition from the explorative phase of Machine Learning projects - in which data scientists build prototypical models in the lab - to their production phase - in which software engineers translate prototypes into production-ready AI components. To narrow down the gap between these two phases, tools and practices adopted by data scientists might be improved by incorporating consolidated software engineering solutions. In particular, computational notebooks have a prominent role in determining the quality of data science prototypes. In my research project, I address this challenge by studying the best practices for collaboration with computational notebooks and proposing proof-of-concept tools to foster guidelines compliance.

In spin based quantum dot arrays, material or fabrication imprecisions affect the behaviour of the device, which must be taken into account when controlling it. This requires measuring the shape of specific convex polytopes. In this work, we present an algorithm that automatically discovers count, shape and size of the facets of a convex polytope from measurements. Results on simulated devices as well as a real 2x2 spin qubit array show that we can reliably find the facets of the convex polytopes, including small facets with sizes on the order of the measurement precision.

Rapid progress in deep learning is leading to a diverse set of quickly changing models, with a dramatically growing demand for compute. However, as frameworks specialize performance optimization to patterns in popular networks, they implicitly constrain novel and diverse models that drive progress in research. We empower deep learning researchers by defining a flexible and user-customizable pipeline for optimizing training of arbitrary deep neural networks, based on data movement minimization. The pipeline begins with standard networks in PyTorch or ONNX and transforms computation through progressive lowering. We define four levels of general-purpose transformations, from local intra-operator optimizations to global data movement reduction. These operate on a data-centric graph intermediate representation that expresses computation and data movement at all levels of abstraction, including expanding basic operators such as convolutions to their underlying computations. Central to the design is the interactive and introspectable nature of the pipeline. Every part is extensible through a Python API, and can be tuned interactively using a GUI. We demonstrate competitive performance or speedups on ten different networks, with interactive optimizations discovering new opportunities in EfficientNet.

We present the encoder-forecaster convolutional long short-term memory (LSTM) deep-learning model that powers Microsoft Weather's operational precipitation nowcasting product. This model takes as input a sequence of weather radar mosaics and deterministically predicts future radar reflectivity at lead times up to 6 hours. By stacking a large input receptive field along the feature dimension and conditioning the model's forecaster with predictions from the physics-based High Resolution Rapid Refresh (HRRR) model, we are able to outperform optical flow and HRRR baselines by 20-25% on multiple metrics averaged over all lead times.

Graph-based next-step prediction models have recently been very successful in modeling complex high-dimensional physical systems on irregular meshes. However, due to their short temporal attention span, these models suffer from error accumulation and drift. In this paper, we propose a new method that captures long-term dependencies through a transformer-style temporal attention model. We introduce an encoder-decoder structure to summarize features and create a compact mesh representation of the system state, to allow the temporal model to operate on a low-dimensional mesh representations in a memory efficient manner. Our method outperforms a competitive GNN baseline on several complex fluid dynamics prediction tasks, from sonic shocks to vascular flow. We demonstrate stable rollouts without the need for training noise and show perfectly phase-stable predictions even for very long sequences. More broadly, we believe our approach paves the way to bringing the benefits of attention-based sequence models to solving high-dimensional complex physics tasks.

A fundamental challenge for any intelligent system is prediction: given some inputs, can you predict corresponding outcomes? Most work on supervised learning has focused on producing accurate marginal predictions for each input. However, we show that for a broad class of decision problems, accurate joint predictions are required to deliver good performance. In particular, we establish several results pertaining to combinatorial decision problems, sequential predictions, and multi-armed bandits to elucidate the essential role of joint predictive distributions. Our treatment of multi-armed bandits introduces an approximate Thompson sampling algorithm and analytic techniques that lead to a new kind of regret bound.

We study for the first time uncertainty-aware modeling of continuous-time dynamics of interacting objects. We introduce a new model that decomposes independent dynamics of single objects accurately from their interactions. By employing latent Gaussian process ordinary differential equations, our model infers both independent dynamics and their interactions with reliable uncertainty estimates. In our formulation, each object is represented as a graph node and interactions are modeled by accumulating the messages coming from neighboring objects. We show that efficient inference of such a complex network of variables is possible with modern variational sparse Gaussian process inference techniques. We empirically demonstrate that our model improves the reliability of long-term predictions over neural network based alternatives and it successfully handles missing dynamic or static information. Furthermore, we observe that only our model can successfully encapsulate independent dynamics and interaction information in distinct functions and show the benefit from this disentanglement in extrapolation scenarios.

Deep learning (DL) shows its prosperity in a wide variety of fields. The development of a DL model is a time-consuming and resource-intensive procedure. Hence, dedicated GPU accelerators have been collectively constructed into a GPU datacenter. An efficient scheduler design for such GPU datacenter is crucially important to reduce the operational cost and improve resource utilization. However, traditional approaches designed for big data or high performance computing workloads can not support DL workloads to fully utilize the GPU resources. Recently, substantial schedulers are proposed to tailor for DL workloads in GPU datacenters. This paper surveys existing research efforts for both training and inference workloads. We primarily present how existing schedulers facilitate the respective workloads from the scheduling objectives and resource consumption features. Finally, we prospect several promising future research directions. More detailed summary with the surveyed paper and code links can be found at our project website: https://github.com/S-Lab-SystemGroup/Awesome-DL-Scheduling-Papers

Pretrained large language models (LLMs) are widely used in many sub-fields of natural language processing (NLP) and generally known as excellent few-shot learners with task-specific exemplars. Notably, chain of thought (CoT) prompting, a recent technique for eliciting complex multi-step reasoning through step-by-step answer examples, achieved the state-of-the-art performances in arithmetics and symbolic reasoning, difficult system-2 tasks that do not follow the standard scaling laws for LLMs. While these successes are often attributed to LLMs' ability for few-shot learning, we show that LLMs are decent zero-shot reasoners by simply adding ``Let's think step by step'' before each answer. Experimental results demonstrate that our Zero-shot-CoT, using the same single prompt template, significantly outperforms zero-shot LLM performances on diverse benchmark reasoning tasks including arithmetics (MultiArith, GSM8K, AQUA-RAT, SVAMP), symbolic reasoning (Last Letter, Coin Flip), and other logical reasoning tasks (Date Understanding, Tracking Shuffled Objects), without any hand-crafted few-shot examples, e.g. increasing the accuracy on MultiArith from 17.7% to 78.7% and GSM8K from 10.4% to 40.7% with an off-the-shelf 175B parameter model. The versatility of this single prompt across very diverse reasoning tasks hints at untapped and understudied fundamental zero-shot capabilities of LLMs, suggesting high-level, multi-task broad cognitive capabilities may be extracted through simple prompting. We hope our work not only serves as the minimal strongest zero-shot baseline for the challenging reasoning benchmarks, but also highlights the importance of carefully exploring and analyzing the enormous zero-shot knowledge hidden inside LLMs before crafting finetuning datasets or few-shot exemplars.

Graph neural network (GNN) is a promising approach to learning and predicting physical phenomena described in boundary value problems, such as partial differential equations (PDEs) with boundary conditions. However, existing models inadequately treat boundary conditions essential for the reliable prediction of such problems. In addition, because of the locally connected nature of GNNs, it is difficult to accurately predict the state after a long time, where interaction between vertices tends to be global. We present our approach termed physics-embedded neural networks that considers boundary conditions and predicts the state after a long time using an implicit method. It is built based on an $\mathrm{E}(n)$-equivariant GNN, resulting in high generalization performance on various shapes. We demonstrate that our model learns flow phenomena in complex shapes and outperforms a well-optimized classical solver and a state-of-the-art machine learning model in speed-accuracy trade-off. Therefore, our model can be a useful standard for realizing reliable, fast, and accurate GNN-based PDE solvers.

Machine learning (ML) depends on data to train and verify models. Very often, organizations outsource processes related to data work (i.e., generating and annotating data and evaluating outputs) through business process outsourcing (BPO) companies and crowdsourcing platforms. This paper investigates outsourced ML data work in Latin America by studying three platforms in Venezuela and a BPO in Argentina. We lean on the Foucauldian notion of dispositif to define the data-production dispositif as an ensemble of discourses, actions, and objects strategically disposed to (re)produce power/knowledge relations in data and labor. Our dispositif analysis comprises the examination of 210 data work instruction documents, 55 interviews with data workers, managers, and requesters, and participant observation. Our findings show that discourses encoded in instructions reproduce and normalize the worldviews of requesters. Precarious working conditions and economic dependency alienate workers, making them obedient to instructions. Furthermore, discourses and social contexts materialize in artifacts, such as interfaces and performance metrics, limiting workers' agency and normalizing specific ways of interpreting data. We conclude by stressing the importance of counteracting the data-production dispositif by fighting alienation and precarization, and empowering data workers to become assets in the quest for high-quality data.

Recently, deploying deep neural network (DNN) models via collaborative inference, which splits a pre-trained model into two parts and executes them on user equipment (UE) and edge server respectively, becomes attractive. However, the large intermediate feature of DNN impedes flexible decoupling, and existing approaches either focus on the single UE scenario or simply define tasks considering the required CPU cycles, but ignore the indivisibility of a single DNN layer. In this paper, we study the multi-agent collaborative inference scenario, where a single edge server coordinates the inference of multiple UEs. Our goal is to achieve fast and energy-efficient inference for all UEs. To achieve this goal, we first design a lightweight autoencoder-based method to compress the large intermediate feature. Then we define tasks according to the inference overhead of DNNs and formulate the problem as a Markov decision process (MDP). Finally, we propose a multi-agent hybrid proximal policy optimization (MAHPPO) algorithm to solve the optimization problem with a hybrid action space. We conduct extensive experiments with different types of networks, and the results show that our method can reduce up to 56\% of inference latency and save up to 72\% of energy consumption.

Echo State Networks (ESN) are versatile recurrent neural network models in which the hidden layer remains unaltered during training. Interactions among nodes of this static backbone produce diverse representations of the given stimuli that are harnessed by a read-out mechanism to perform computations needed for solving a given task. ESNs are accessible models of neuronal circuits, since they are relatively inexpensive to train. Therefore, ESNs have become attractive for neuroscientists studying the relationship between neural structure, function, and behavior. For instance, it is not yet clear how distinctive connectivity patterns of brain networks support effective interactions among their nodes and how these patterns of interactions give rise to computation. To address this question, we employed an ESN with a biologically inspired structure and used a systematic multi-site lesioning framework to quantify the causal contribution of each node to the network's output, thus providing a causal link between network structure and behavior. We then focused on the structure-function relationship and decomposed the causal influence of each node on all other nodes, using the same lesioning framework. We found that nodes in a properly engineered ESN interact largely irrespective of the network's underlying structure. However, in a network with the same topology and a non-optimal parameter set, the underlying connectivity patterns determine the node interactions. Our results suggest that causal structure-function relations in ESNs can be decomposed into two components, direct and indirect interactions. The former are based on influences relying on structural connections. The latter describe the effective communication between any two nodes through other intermediate nodes. These widely distributed indirect interactions may crucially contribute to the efficient performance of ESNs.

Brain-computer interfaces (BCIs), is ways for electronic devices to communicate directly with the brain. For most medical-type brain-computer interface tasks, the activity of multiple units of neurons or local field potentials is sufficient for decoding. But for BCIs used in neuroscience research, it is important to separate out the activity of individual neurons. With the development of large-scale silicon technology and the increasing number of probe channels, artificially interpreting and labeling spikes is becoming increasingly impractical. In this paper, we propose a novel modeling framework: Adaptive Contrastive Learning Model that learns representations from spikes through contrastive learning based on the maximizing mutual information loss function as a theoretical basis. Based on the fact that data with similar features share the same labels whether they are multi-classified or binary-classified. With this theoretical support, we simplify the multi-classification problem into multiple binary-classification, improving both the accuracy and the runtime efficiency. Moreover, we also introduce a series of enhancements for the spikes, while solving the problem that the classification effect is affected because of the overlapping spikes.

Driven by several successful applications such as in stochastic gradient descent or in Bayesian computation, control variates have become a major tool for Monte Carlo integration. However, standard methods do not allow the distribution of the particles to evolve during the algorithm, as is the case in sequential simulation methods. Within the standard adaptive importance sampling framework, a simple weighted least squares approach is proposed to improve the procedure with control variates. The procedure takes the form of a quadrature rule with adapted quadrature weights to reflect the information brought in by the control variates. The quadrature points and weights do not depend on the integrand, a computational advantage in case of multiple integrands. Moreover, the target density needs to be known only up to a multiplicative constant. Our main result is a non-asymptotic bound on the probabilistic error of the procedure. The bound proves that for improving the estimate's accuracy, the benefits from adaptive importance sampling and control variates can be combined. The good behavior of the method is illustrated empirically on synthetic examples and real-world data for Bayesian linear regression.

We propose a framework for the configuration and operation of expensive-to-evaluate advanced manufacturing methods, based on Bayesian optimization. The framework unifies a tailored acquisition function, a parallel acquisition procedure, and the integration of process information providing context to the optimization procedure. The novel acquisition function is demonstrated and analyzed on benchmark illustrative problems. We apply the optimization approach to atmospheric plasma spraying in simulation and experiments. Our results demonstrate that the proposed framework can efficiently find input parameters that produce the desired outcome and minimize the process cost.

The Frank-Wolfe method is a popular method in sparse constrained optimization, due to its fast per-iteration complexity. However, the tradeoff is that its worst case global convergence is comparatively slow, and importantly, is fundamentally slower than its flow rate--that is to say, the convergence rate is throttled by discretization error. In this work, we consider a modified Frank-Wolfe where the step direction is a simple weighted average of past oracle calls. This method requires very little memory and computational overhead, and provably decays this discretization error term. Numerically, we show that this method improves the convergence rate over several problems, especially after the sparse manifold has been detected. Theoretically, we show the method has an overall global convergence rate of $O(1/k^p)$, where $0< p < 1$; after manifold identification, this rate speeds to $O(1/k^{3p/2})$. We also observe that the method achieves this accelerated rate from a very early stage, suggesting a promising mode of acceleration for this family of methods.

Deep learning oriented named entity recognition (DNER) has gradually become the paradigm of knowledge discovery, which greatly promotes domain intelligence. However, the current activation function of DNER fails to treat gradient vanishing, no negative output or non-differentiable existence, which may impede knowledge exploration caused by the omission and incomplete representation of latent semantics. To break through the dilemma, we present a novel activation function termed KDAC. Detailly, KDAC is an aggregation function with multiple conversion modes. The backbone of the activation region is the interaction between exponent and linearity, and the both ends extend through adaptive linear divergence, which surmounts the obstacle of gradient vanishing and no negative output. Crucially, the non-differentiable points are alerted and eliminated by an approximate smoothing algorithm. KDAC has a series of brilliant properties, including nonlinear, stable near-linear transformation and derivative, as well as dynamic style, etc. We perform experiments based on BERT-BiLSTM-CNN-CRF model on six benchmark datasets containing different domain knowledge, such as Weibo, Clinical, E-commerce, Resume, HAZOP and People's daily. The evaluation results show that KDAC is advanced and effective, and can provide more generalized activation to stimulate the performance of DNER. We hope that KDAC can be exploited as a promising activation function to devote itself to the construction of knowledge.

Energy forecasting has a vital role to play in smart grid (SG) systems involving various applications such as demand-side management, load shedding, and optimum dispatch. Managing efficient forecasting while ensuring the least possible prediction error is one of the main challenges posed in the grid today, considering the uncertainty and granularity in SG data. This paper presents a comprehensive and application-oriented review of state-of-the-art forecasting methods for SG systems along with recent developments in probabilistic deep learning (PDL) considering different models and architectures. Traditional point forecasting methods including statistical, machine learning (ML), and deep learning (DL) are extensively investigated in terms of their applicability to energy forecasting. In addition, the significance of hybrid and data pre-processing techniques to support forecasting performance is also studied. A comparative case study using the Victorian electricity consumption and American electric power (AEP) datasets is conducted to analyze the performance of point and probabilistic forecasting methods. The analysis demonstrates higher accuracy of the long-short term memory (LSTM) models with appropriate hyper-parameter tuning among point forecasting methods especially when sample sizes are larger and involve nonlinear patterns with long sequences. Furthermore, Bayesian bidirectional LSTM (BLSTM) as a probabilistic method exhibit the highest accuracy in terms of least pinball score and root mean square error (RMSE).

Distributed source coding (DSC) is the task of encoding an input in the absence of correlated side information that is only available to the decoder. Remarkably, Slepian and Wolf showed in 1973 that an encoder without access to the side information can asymptotically achieve the same compression rate as when the side information is available to it. While there is vast prior work on this topic, practical DSC has been limited to synthetic datasets and specific correlation structures. Here we present a framework for lossy DSC that is agnostic to the correlation structure and can scale to high dimensions. Rather than relying on hand-crafted source-modeling, our method utilizes a conditional VQ-VAE to learn the distributed encoder and decoder. We evaluate our method on multiple datasets and show that our method can handle complex correlations -- significantly better than the current state-of-the-art method.

We consider an adversarial variant of the classic $K$-armed linear contextual bandit problem where the sequence of loss functions associated with each arm are allowed to change without restriction over time. Under the assumption that the $d$-dimensional contexts are generated i.i.d.~at random from a known distributions, we develop computationally efficient algorithms based on the classic Exp3 algorithm. Our first algorithm, RealLinExp3, is shown to achieve a regret guarantee of $\widetilde{O}(\sqrt{KdT})$ over $T$ rounds, which matches the best available bound for this problem. Our second algorithm, RobustLinExp3, is shown to be robust to misspecification, in that it achieves a regret bound of $\widetilde{O}((Kd)^{1/3}T^{2/3}) + \varepsilon \sqrt{d} T$ if the true reward function is linear up to an additive nonlinear error uniformly bounded in absolute value by $\varepsilon$. To our knowledge, our performance guarantees constitute the very first results on this problem setting.

Natural Language Understanding (NLU) is a vital component of dialogue systems, and its ability to detect Out-of-Domain (OOD) inputs is critical in practical applications, since the acceptance of the OOD input that is unsupported by the current system may lead to catastrophic failure. However, most existing OOD detection methods rely heavily on manually labeled OOD samples and cannot take full advantage of unlabeled data. This limits the feasibility of these models in practical applications. In this paper, we propose a novel model to generate high-quality pseudo OOD samples that are akin to IN-Domain (IND) input utterances, and thereby improves the performance of OOD detection. To this end, an autoencoder is trained to map an input utterance into a latent code. and the codes of IND and OOD samples are trained to be indistinguishable by utilizing a generative adversarial network. To provide more supervision signals, an auxiliary classifier is introduced to regularize the generated OOD samples to have indistinguishable intent labels. Experiments show that these pseudo OOD samples generated by our model can be used to effectively improve OOD detection in NLU. Besides, we also demonstrate that the effectiveness of these pseudo OOD data can be further improved by efficiently utilizing unlabeled data.

Recently, the compression and deployment of powerful deep neural networks (DNNs) on resource-limited edge devices to provide intelligent services have become attractive tasks. Although knowledge distillation (KD) is a feasible solution for compression, its requirement on the original dataset raises privacy concerns. In addition, it is common to integrate multiple pretrained models to achieve satisfactory performance. How to compress multiple models into a tiny model is challenging, especially when the original data are unavailable. To tackle this challenge, we propose a framework termed collaborative data-free knowledge distillation via multi-level feature sharing (CDFKD-MFS), which consists of a multi-header student module, an asymmetric adversarial data-free KD module, and an attention-based aggregation module. In this framework, the student model equipped with a multi-level feature-sharing structure learns from multiple teacher models and is trained together with a generator in an asymmetric adversarial manner. When some real samples are available, the attention module adaptively aggregates predictions of the student headers, which can further improve performance. We conduct extensive experiments on three popular computer visual datasets. In particular, compared with the most competitive alternative, the accuracy of the proposed framework is 1.18\% higher on the CIFAR-100 dataset, 1.67\% higher on the Caltech-101 dataset, and 2.99\% higher on the mini-ImageNet dataset.

Assembling parts into an object is a combinatorial problem that arises in a variety of contexts in the real world and involves numerous applications in science and engineering. Previous related work tackles limited cases with identical unit parts or jigsaw-style parts of textured shapes, which greatly mitigate combinatorial challenges of the problem. In this work, we introduce the more challenging problem of shape assembly, which involves textureless fragments of arbitrary shapes with indistinctive junctions, and then propose a learning-based approach to solving it. We demonstrate the effectiveness on shape assembly tasks with various scenarios, including the ones with abnormal fragments (e.g., missing and distorted), the different number of fragments, and different rotation discretization.

Area Under the Receiver Operating Characteristic Curve (AUC-ROC) is a popular evaluation metric for binary classifiers. In this paper, we discuss techniques to segment the AUC-ROC along human-interpretable dimensions. AUC-ROC is not an additive/linear function over the data samples, therefore such segmenting the overall AUC-ROC is different from tabulating the AUC-ROC of data segments. To segment the overall AUC-ROC, we must first solve an \emph{attribution} problem to identify credit for individual examples. We observe that AUC-ROC, though non-linear over examples, is linear over \emph{pairs} of examples. This observation leads to a simple, efficient attribution technique for examples (example attributions), and for pairs of examples (pair attributions). We automatically slice these attributions using decision trees by making the tree predict the attributions; we use the notion of honest estimates along with a t-test to mitigate false discovery. Our experiments with the method show that an inferior model can outperform a superior model (trained to optimize a different training objective) on the inferior model's own training objective, a manifestation of Goodhart's Law. In contrast, AUC attributions enable a reasonable comparison. Example attributions can be used to slice this comparison. Pair attributions are used to categorize pairs of items -- one positively labeled and one negatively -- that the model has trouble separating. These categories identify the decision boundary of the classifier and the headroom to improve AUC.

Safe reinforcement learning aims to learn the optimal policy while satisfying safety constraints, which is essential in real-world applications. However, current algorithms still struggle for efficient policy updates with hard constraint satisfaction. In this paper, we propose Penalized Proximal Policy Optimization (P3O), which solves the cumbersome constrained policy iteration via a single minimization of an equivalent unconstrained problem. Specifically, P3O utilizes a simple-yet-effective penalty function to eliminate cost constraints and removes the trust-region constraint by the clipped surrogate objective. We theoretically prove the exactness of the proposed method with a finite penalty factor and provide a worst-case analysis for approximate error when evaluated on sample trajectories. Moreover, we extend P3O to more challenging multi-constraint and multi-agent scenarios which are less studied in previous work. Extensive experiments show that P3O outperforms state-of-the-art algorithms with respect to both reward improvement and constraint satisfaction on a set of constrained locomotive tasks.

Recent works on learned index open a new direction for the indexing field. The key insight of the learned index is to approximate the mapping between keys and positions with piece-wise linear functions. Such methods require partitioning key space for a better approximation. Although lots of heuristics are proposed to improve the approximation quality, the bottleneck is that the segmentation overheads could hinder the overall performance. This paper tackles the approximation problem by applying a \textit{distribution transformation} to the keys before constructing the learned index. A two-stage Normalizing-Flow-based Learned index framework (NFL) is proposed, which first transforms the original complex key distribution into a near-uniform distribution, then builds a learned index leveraging the transformed keys. For effective distribution transformation, we propose a Numerical Normalizing Flow (Numerical NF). Based on the characteristics of the transformed keys, we propose a robust After-Flow Learned Index (AFLI). To validate the performance, comprehensive evaluations are conducted on both synthetic and real-world workloads, which shows that the proposed NFL produces the highest throughput and the lowest tail latency compared to the state-of-the-art learned indexes.

Ensembling is a popular method used to improve performance as a last resort. However, ensembling multiple models finetuned from a single pretrained model has been not very effective; this could be due to the lack of diversity among ensemble members. This paper proposes Multi-Ticket Ensemble, which finetunes different subnetworks of a single pretrained model and ensembles them. We empirically demonstrated that winning-ticket subnetworks produced more diverse predictions than dense networks, and their ensemble outperformed the standard ensemble on some tasks.

Adversarial training (AT) has proven to be one of the most effective ways to defend Deep Neural Networks (DNNs) against adversarial attacks. However, the phenomenon of robust overfitting, i.e., the robustness will drop sharply at a certain stage, always exists during AT. It is of great importance to decrease this robust generalization gap in order to obtain a robust model. In this paper, we present an in-depth study towards the robust overfitting from a new angle. We observe that consistency regularization, a popular technique in semi-supervised learning, has a similar goal as AT and can be used to alleviate robust overfitting. We empirically validate this observation, and find a majority of prior solutions have implicit connections to consistency regularization. Motivated by this, we introduce a new AT solution, which integrates the consistency regularization and Mean Teacher (MT) strategy into AT. Specifically, we introduce a teacher model, coming from the average weights of the student models over the training steps. Then we design a consistency loss function to make the prediction distribution of the student models over adversarial examples consistent with that of the teacher model over clean samples. Experiments show that our proposed method can effectively alleviate robust overfitting and improve the robustness of DNN models against common adversarial attacks.

Federated learning has allowed training of a global model by aggregating local models trained on local nodes. However, it still takes client-server model, which can be further distributed, fully decentralized, or even partially connected, or totally opportunistic. In this paper, we propose a wireless ad hoc federated learning (WAFL) -- a fully distributed cooperative machine learning organized by the nodes physically nearby. Here, each node has a wireless interface and can communicate with each other when they are within the radio range. The nodes are expected to move with people, vehicles, or robots, producing opportunistic contacts with each other. In WAFL, each node trains a model individually with the local data it has. When a node encounter with others, they exchange their trained models, and generate new aggregated models, which are expected to be more general compared to the locally trained models on Non-IID data. For evaluation, we have prepared four static communication networks and two types of dynamic and opportunistic communication networks based on random waypoint mobility and community-structured environment, and then studied the training process of a fully connected neural network with 90% Non-IID MNIST dataset. The evaluation results indicate that WAFL allowed the convergence of model parameters among the nodes toward generalization, even with opportunistic node contact scenarios -- whereas in self-training (or lonely training) case, they have diverged. This WAFL's model generalization contributed to achieving higher accuracy 94.7-96.2% to the testing IID dataset compared to the self-training case 84.7%.

Deep neural networks are becoming increasingly popular in approximating arbitrary functions from noisy data. But wider adoption is being hindered by the need to explain such models and to impose additional constraints on them. Monotonicity constraint is one of the most requested properties in real-world scenarios and is the focus of this paper. One of the oldest ways to construct a monotonic fully connected neural network is to constrain its weights to be non-negative while employing a monotonic activation function. Unfortunately, this construction does not work with popular non-saturated activation functions such as ReLU, ELU, SELU etc, as it can only approximate convex functions. We show this shortcoming can be fixed by employing the original activation function for a part of the neurons in the layer, and employing its point reflection for the other part. Our experiments show this approach of building monotonic deep neural networks have matching or better accuracy when compared to other state-of-the-art methods such as deep lattice networks or monotonic networks obtained by heuristic regularization. This method is the simplest one in the sense of having the least number of parameters, not requiring any modifications to the learning procedure or steps post-learning steps.

Learned embeddings for products are an important building block for web-scale e-commerce recommendation systems. At Pinterest, we build a single set of product embeddings called ItemSage to provide relevant recommendations in all shopping use cases including user, image and search based recommendations. This approach has led to significant improvements in engagement and conversion metrics, while reducing both infrastructure and maintenance cost. While most prior work focuses on building product embeddings from features coming from a single modality, we introduce a transformer-based architecture capable of aggregating information from both text and image modalities and show that it significantly outperforms single modality baselines. We also utilize multi-task learning to make ItemSage optimized for several engagement types, leading to a candidate generation system that is efficient for all of the engagement objectives of the end-to-end recommendation system. Extensive offline experiments are conducted to illustrate the effectiveness of our approach and results from online A/B experiments show substantial gains in key business metrics (up to +7% gross merchandise value/user and +11% click volume).

Prior work on language model pre-training has explored different architectures and learning objectives, but differences in data, hyperparameters and evaluation make a principled comparison difficult. In this work, we focus on bidirectionality as a key factor that differentiates existing approaches, and present a comprehensive study of its role in next token prediction, text infilling, zero-shot priming and fine-tuning. We propose a new framework that generalizes prior approaches, including fully unidirectional models like GPT, fully bidirectional models like BERT, and hybrid models like CM3 and prefix LM. Our framework distinguishes between two notions of bidirectionality (bidirectional context and bidirectional attention) and allows us to control each of them separately. We find that the optimal configuration is largely application-dependent (e.g., bidirectional attention is beneficial for fine-tuning and infilling, but harmful for next token prediction and zero-shot priming). We train models with up to 6.7B parameters, and find differences to remain consistent at scale. While prior work on scaling has focused on left-to-right autoregressive models, our results suggest that this approach comes with some trade-offs, and it might be worthwhile to develop very large bidirectional models.

Transformer language models provide superior accuracy over previous models but they are computationally and environmentally expensive. Borrowing the concept of model cascading from computer vision, we introduce BabyBear, a framework for cascading models for natural language processing (NLP) tasks to minimize cost. The core strategy is inference triage, exiting early when the least expensive model in the cascade achieves a sufficiently high-confidence prediction. We test BabyBear on several open source data sets related to document classification and entity recognition. We find that for common NLP tasks a high proportion of the inference load can be accomplished with cheap, fast models that have learned by observing a deep learning model. This allows us to reduce the compute cost of large-scale classification jobs by more than 50% while retaining overall accuracy. For named entity recognition, we save 33% of the deep learning compute while maintaining an F1 score higher than 95% on the CoNLL benchmark.

Burnout is a significant public health concern affecting nearly half of the healthcare workforce. This paper presents the first end-to-end deep learning framework for predicting physician burnout based on clinician activity logs, digital traces of their work activities, available in any electronic health record (EHR) system. In contrast to prior approaches that exclusively relied on surveys for burnout measurement, our framework directly learns deep workload representations from large-scale clinician activity logs to predict burnout. We propose the Hierarchical burnout Prediction based on Activity Logs (HiPAL), featuring a pre-trained time-dependent activity embedding mechanism tailored for activity logs and a hierarchical predictive model, which mirrors the natural hierarchical structure of clinician activity logs and captures physician's evolving workload patterns at both short-term and long-term levels. To utilize the large amount of unlabeled activity logs, we propose a semi-supervised framework that learns to transfer knowledge extracted from unlabeled clinician activities to the HiPAL-based prediction model. The experiment on over 15 million clinician activity logs collected from the EHR at a large academic medical center demonstrates the advantages of our proposed framework in predictive performance of physician burnout and training efficiency over state of the art approaches.

With the rapid development of the energy internet, the proportion of flexible loads in smart grid is getting much higher than before. It is highly important to model flexible loads based on demand response. Therefore, a new demand response method considering multiple flexible loads is proposed in this paper to character the integrated demand response (IDR) resources. Firstly, a physical process analytical deduction (PPAD) model is proposed to improve the classification of flexible loads in industrial parks. Scenario generation, data point augmentation, and smooth curves under various operating conditions are considered to enhance the applicability of the model. Secondly, in view of the strong volatility and poor modeling effect of Wasserstein-generative adversarial networks (WGAN), an improved WGAN-gradient penalty (IWGAN-GP) model is developed to get a faster convergence speed than traditional WGAN and generate a higher quality samples. Finally, the PPAD and IWGAN-GP models are jointly implemented to reveal the degree of correlation between flexible loads. Meanwhile, an intelligent offline database is built to deal with the impact of nonlinear factors in different response scenarios. Numerical examples have been performed with the results proving that the proposed method is significantly better than the existing technologies in reducing load modeling deviation and improving the responsiveness of park loads.

During lung radiotherapy, the position of infrared reflective objects on the chest can be recorded to estimate the tumor location. However, radiotherapy systems have a latency inherent to robot control limitations that impedes the radiation delivery precision. Prediction with online learning of recurrent neural networks (RNN) allows for adaptation to non-stationary respiratory signals, but classical methods such as RTRL and truncated BPTT are respectively slow and biased. This study investigates the capabilities of unbiased online recurrent optimization (UORO) to forecast respiratory motion and enhance safety in lung radiotherapy. We used 9 observation records of the 3D position of 3 external markers on the chest and abdomen of healthy individuals breathing during intervals from 73s to 222s. The sampling frequency was 10Hz, and the amplitudes of the recorded trajectories range from 6mm to 40mm in the superior-inferior direction. We forecast the 3D location of each marker simultaneously with a horizon value between 0.1s and 2.0s, using an RNN trained with UORO. We compare its performance with an RNN trained with RTRL, LMS, and offline linear regression. We provide closed-form expressions for quantities involved in the gradient loss calculation in UORO, thereby making its implementation efficient. Training and cross-validation were performed during the first minute of each sequence. On average over the horizon values considered and the 9 sequences, UORO achieves the lowest root-mean-square (RMS) error and maximum error among the compared algorithms. These errors are respectively equal to 1.3mm and 8.8mm, and the prediction time per time step was lower than 2.8ms (Dell Intel core i9-9900K 3.60 GHz). Linear regression has the lowest RMS error for the horizon values 0.1s and 0.2s, followed by LMS for horizon values between 0.3s and 0.5s, and UORO for horizon values greater than 0.6s.

Recently, neural networks have been shown to perform exceptionally well in transforming two arbitrary sets into two linearly separable sets. Doing this with a randomly initialized neural network is of immense interest because the associated computation is cheaper than using fully trained networks. In this paper, we show that, with sufficient width, a randomly initialized one-layer neural network transforms two sets into two linearly separable sets with high probability. Furthermore, we provide explicit bounds on the required width of the neural network for this to occur. Our first bound is exponential in the input dimension and polynomial in all other parameters, while our second bound is independent of the input dimension, thereby overcoming the curse of dimensionality. We also perform an experimental study comparing the separation capacity of randomly initialized one-layer and two-layer neural networks. With correctly chosen biases, our study shows for low-dimensional data, the two-layer neural network outperforms the one-layer network. However, the opposite is observed for higher-dimensional data.

We propose an algorithm for visualizing a dataset by embedding it in 3-dimensional Euclidean space based on various given distances between the same pairs of datapoints. Its aim is to find an Embedding which preserves Neighborhoods Simultaneously for all given distances by generalizing the t-Stochastic Neighborhood Embedding approach (ENS-t-SNE). We illustrate the utility of ENS-t-SNE by demonstrating its use in three applications. First, to visualize different notions of clusters and groups within the same high-dimensional dataset with one 3-dimensional embedding, as opposed to providing different embeddings of the same data and trying to match the corresponding points. Second, to illustrate the effects of different hyper-parameters of the classical t-SNE. Third, by considering multiple different notions of clustering in data, ENS-t-SNE can generate an alternative embedding than the classic t-SNE. We provide an extensive quantitative evaluation with real-world and synthetic datasets of different sizes and using different numbers of projections.

Graph Neural Networks (GNNs) are attracting growing attention due to their effectiveness and flexibility in modeling a variety of graph-structured data. Exiting GNN architectures usually adopt simple pooling operations (e.g., sum, average, max) when aggregating messages from a local neighborhood for updating node representation or pooling node representations from the entire graph to compute the graph representation. Though simple and effective, these linear operations do not model high-order non-linear interactions among nodes. We propose the Tensorized Graph Neural Network (tGNN), a highly expressive GNN architecture relying on tensor decomposition to model high-order non-linear node interactions. tGNN leverages the symmetric CP decomposition to efficiently parameterize permutation-invariant multilinear maps for modeling node interactions. Theoretical and empirical analysis on both node and graph classification tasks show the superiority of tGNN over competitive baselines. In particular, tGNN achieves state-of-the-art results on two OGB node classification datasets and one OGB graph classification dataset.

Recent advances in deep learning have been driven by large-scale parametric models, which can be computationally expensive and lack interpretability. Semi-parametric methods query the training set at inference time and can be more compact, although they typically have quadratic computational complexity. Here, we introduce SPIN, a general-purpose semi-parametric neural architecture whose computational cost is linear in the size and dimensionality of the data. Our architecture is inspired by inducing point methods and relies on a novel application of cross-attention between datapoints. At inference time, its computational cost is constant in the training set size as the data gets distilled into a fixed number of inducing points. We find that our method reduces the computational requirements of existing semi-parametric models by up to an order of magnitude across a range of datasets and improves state-of-the-art performance on an important practical problem, genotype imputation.

Continuous-time reinforcement learning offers an appealing formalism for describing control problems in which the passage of time is not naturally divided into discrete increments. Here we consider the problem of predicting the distribution of returns obtained by an agent interacting in a continuous-time, stochastic environment. Accurate return predictions have proven useful for determining optimal policies for risk-sensitive control, learning state representations, multiagent coordination, and more. We begin by establishing the distributional analogue of the Hamilton-Jacobi-Bellman (HJB) equation for It\^o diffusions and the broader class of Feller-Dynkin processes. We then specialize this equation to the setting in which the return distribution is approximated by $N$ uniformly-weighted particles, a common design choice in distributional algorithms. Our derivation highlights additional terms due to statistical diffusivity which arise from the proper handling of distributions in the continuous-time setting. Based on this, we propose a tractable algorithm for approximately solving the distributional HJB based on a JKO scheme, which can be implemented in an online control algorithm. We demonstrate the effectiveness of such an algorithm in a synthetic control problem.

Policy Compliance Detection (PCD) is a task we encounter when reasoning over texts, e.g. legal frameworks. Previous work to address PCD relies heavily on modeling the task as a special case of Recognizing Textual Entailment. Entailment is applicable to the problem of PCD, however viewing the policy as a single proposition, as opposed to multiple interlinked propositions, yields poor performance and lacks explainability. To address this challenge, more recent proposals for PCD have argued for decomposing policies into expression trees consisting of questions connected with logic operators. Question answering is used to obtain answers to these questions with respect to a scenario. Finally, the expression tree is evaluated in order to arrive at an overall solution. However, this work assumes expression trees are provided by experts, thus limiting its applicability to new policies. In this work, we learn how to infer expression trees automatically from policy texts. We ensure the validity of the inferred trees by introducing constrained decoding using a finite state automaton to ensure the generation of valid trees. We determine through automatic evaluation that 63% of the expression trees generated by our constrained generation model are logically equivalent to gold trees. Human evaluation shows that 88% of trees generated by our model are correct.

Mobile sensing-based modeling of behavioral changes could predict an oncoming psychotic relapse in schizophrenia patients for timely interventions. Deep learning models could complement existing non-deep learning models for relapse prediction by modeling latent behavioral features relevant to the prediction. However, given the inter-individual behavioral differences, model personalization might be required for a predictive model. In this work, we propose RelapsePredNet, a Long Short-Term Memory (LSTM) neural network-based model for relapse prediction. The model is personalized for a particular patient by training using data from patients most similar to the given patient. Several demographics and baseline mental health scores were considered as personalization metrics to define patient similarity. We investigated the effect of personalization on training dataset characteristics, learned embeddings, and relapse prediction performance. We compared RelapsePredNet with a deep learning-based anomaly detection model for relapse prediction. Further, we investigated if RelapsePredNet could complement ClusterRFModel (a random forest model leveraging clustering and template features proposed in prior work) in a fusion model, by identifying latent behavioral features relevant for relapse prediction. The CrossCheck dataset consisting of continuous mobile sensing data obtained from 63 schizophrenia patients, each monitored for up to a year, was used for our evaluations. The proposed RelapsePredNet outperformed the deep learning-based anomaly detection model for relapse prediction. The F2 score for prediction were 0.21 and 0.52 in the full test set and the Relapse Test Set (consisting of data from patients who have had relapse only), respectively. These corresponded to a 29.4% and 38.8% improvement compared to the existing deep learning-based model for relapse prediction.

In the era of big data, there is an increasing demand for new methods for analyzing and forecasting 2-dimensional data. The current research aims to accomplish these goals through the combination of time-series modeling and multilinear algebraic systems. We expand previous autoregressive techniques to forecast multilinear data, aptly named the L-Transform Tensor autoregressive (L-TAR for short). Tensor decompositions and multilinear tensor products have allowed for this approach to be a feasible method of forecasting. We achieve statistical independence between the columns of the observations through invertible discrete linear transforms, enabling a divide and conquer approach. We present an experimental validation of the proposed methods on datasets containing image collections, video sequences, sea surface temperature measurements, stock prices, and networks.

Protein function is inherently linked to its localization within the cell, and fluorescent microscopy data is an indispensable resource for learning representations of proteins. Despite major developments in molecular representation learning, extracting functional information from biological images remains a non-trivial computational task. Current state-of-the-art approaches use autoencoder models to learn high-quality features by reconstructing images. However, such methods are prone to capturing noise and imaging artifacts. In this work, we revisit deep learning models used for classifying major subcellular localizations, and evaluate representations extracted from their final layers. We show that simple convolutional networks trained on localization classification can learn protein representations that encapsulate diverse functional information, and significantly outperform autoencoder-based models. We also propose a robust evaluation strategy to assess quality of protein representations across different scales of biological function.

Deep graph neural networks (GNNs) have been shown to be expressive for modeling graph-structured data. Nevertheless, the over-stacked architecture of deep graph models makes it difficult to deploy and rapidly test on mobile or embedded systems. To compress over-stacked GNNs, knowledge distillation via a teacher-student architecture turns out to be an effective technique, where the key step is to measure the discrepancy between teacher and student networks with predefined distance functions. However, using the same distance for graphs of various structures may be unfit, and the optimal distance formulation is hard to determine. To tackle these problems, we propose a novel Adversarial Knowledge Distillation framework for graph models named GraphAKD, which adversarially trains a discriminator and a generator to adaptively detect and decrease the discrepancy. Specifically, noticing that the well-captured inter-node and inter-class correlations favor the success of deep GNNs, we propose to criticize the inherited knowledge from node-level and class-level views with a trainable discriminator. The discriminator distinguishes between teacher knowledge and what the student inherits, while the student GNN works as a generator and aims to fool the discriminator. To our best knowledge, GraphAKD is the first to introduce adversarial training to knowledge distillation in graph domains. Experiments on node-level and graph-level classification benchmarks demonstrate that GraphAKD improves the student performance by a large margin. The results imply that GraphAKD can precisely transfer knowledge from a complicated teacher GNN to a compact student GNN.

The existence of a plethora of language models makes the problem of selecting the best one for a custom task challenging. Most state-of-the-art methods leverage transformer-based models (e.g., BERT) or their variants. Training such models and exploring their hyperparameter space, however, is computationally expensive. Prior work proposes several neural architecture search (NAS) methods that employ performance predictors (e.g., surrogate models) to address this issue; however, analysis has been limited to homogeneous models that use fixed dimensionality throughout the network. This leads to sub-optimal architectures. To address this limitation, we propose a suite of heterogeneous and flexible models, namely FlexiBERT, that have varied encoder layers with a diverse set of possible operations and different hidden dimensions. For better-posed surrogate modeling in this expanded design space, we propose a new graph-similarity-based embedding scheme. We also propose a novel NAS policy, called BOSHNAS, that leverages this new scheme, Bayesian modeling, and second-order optimization, to quickly train and use a neural surrogate model to converge to the optimal architecture. A comprehensive set of experiments shows that the proposed policy, when applied to the FlexiBERT design space, pushes the performance frontier upwards compared to traditional models. FlexiBERT-Mini, one of our proposed models, has 3% fewer parameters than BERT-Mini and achieves 8.9% higher GLUE score. A FlexiBERT model with equivalent performance as the best homogeneous model achieves 2.6x smaller size. FlexiBERT-Large, another proposed model, achieves state-of-the-art results, outperforming the baseline models by at least 5.7% on the GLUE benchmark.

Federated learning is an emerging decentralized machine learning scheme that allows multiple data owners to work collaboratively while ensuring data privacy. The success of federated learning depends largely on the participation of data owners. To sustain and encourage data owners' participation, it is crucial to fairly evaluate the quality of the data provided by the data owners and reward them correspondingly. Federated Shapley value, recently proposed by Wang et al. [Federated Learning, 2020], is a measure for data value under the framework of federated learning that satisfies many desired properties for data valuation. However, there are still factors of potential unfairness in the design of federated Shapley value because two data owners with the same local data may not receive the same evaluation. We propose a new measure called completed federated Shapley value to improve the fairness of federated Shapley value. The design depends on completing a matrix consisting of all the possible contributions by different subsets of the data owners. It is shown under mild conditions that this matrix is approximately low-rank by leveraging concepts and tools from optimization. Both theoretical analysis and empirical evaluation verify that the proposed measure does improve fairness in many circumstances.

Intelligence is a fundamental part of all living things, as well as the foundation for Artificial Intelligence. In this primer we explore the ideas associated with intelligence and, by doing so, understand the implications and constraints and potentially outline the capabilities of future systems. Artificial Intelligence, in the form of Machine Learning, has already had a significant impact on our lives. As an exploration, we journey into different parts of intelligence that appear essential. We hope that people find this helpful in determining the future. Also, during the exploration, we hope to create new thought-provoking questions. Intelligence is not a single weighable quantity but a subject that spans Biology, Physics, Philosophy, Cognitive Science, Neuroscience, Psychology, and Computer Science. The historian Yuval Noah Harari pointed out that engineers and scientists in the future will have to broaden their understandings to include disciplines such as Psychology, Philosophy, and Ethics. Fiction writers have long portrayed engineers and scientists as deficient in these areas. Today, in modern society, the emergence of Artificial Intelligence and legal requirements act as forcing functions to push these broader subjects into the foreground. We start with an introduction to intelligence and move quickly to more profound thoughts and ideas. We call this a Life, the Universe, and Everything primer, after the famous science fiction book by Douglas Adams. Forty-two may be the correct answer, but what are the questions?

Class imbalances pervade classification problems, yet their treatment differs in theory and practice. On the one hand, learning theory instructs us that \emph{more data is better}, as sample size relates inversely to the average test error over the entire data distribution. On the other hand, practitioners have long developed a plethora of tricks to improve the performance of learning machines over imbalanced data. These include data reweighting and subsampling, synthetic construction of additional samples from minority classes, ensembling expensive one-versus all architectures, and tweaking classification losses and thresholds. All of these are efforts to minimize the worst-class error, which is often associated to the minority group in the training data, and finds additional motivation in the robustness, fairness, and out-of-distribution literatures. Here we take on the challenge of developing learning theory able to describe the worst-class error of classifiers over linearly-separable data when fitted either on (i) the full training set, or (ii) a subset where the majority class is subsampled to match in size the minority class. We borrow tools from extreme value theory to show that, under distributions with certain tail properties, \emph{throwing away most data from the majority class leads to better worst-class error}.

This paper is a tutorial for eigenvalue and generalized eigenvalue problems. We first introduce eigenvalue problem, eigen-decomposition (spectral decomposition), and generalized eigenvalue problem. Then, we mention the optimization problems which yield to the eigenvalue and generalized eigenvalue problems. We also provide examples from machine learning, including principal component analysis, kernel supervised principal component analysis, and Fisher discriminant analysis, which result in eigenvalue and generalized eigenvalue problems. Finally, we introduce the solutions to both eigenvalue and generalized eigenvalue problems.

Word translation without parallel corpora has become feasible, rivaling the performance of supervised methods. Recent findings have shown that the accuracy and robustness of unsupervised word translation (UWT) can be improved by making use of visual observations, which are universal representations across languages. In this work, we investigate the potential of using not only visual observations but also pretrained language-image models for enabling a more efficient and robust UWT. Specifically, we develop a novel UWT method dubbed Word Alignment using Language-Image Pretraining (WALIP), which leverages visual observations via the shared embedding space of images and texts provided by CLIP models (Radford et al., 2021). WALIP has a two-step procedure. First, we retrieve word pairs with high confidences of similarity, computed using our proposed image-based fingerprints, which define the initial pivot for the word alignment. Second, we apply our robust Procrustes algorithm to estimate the linear mapping between two embedding spaces, which iteratively corrects and refines the estimated alignment. Our extensive experiments show that WALIP improves upon the state-of-the-art performance of bilingual word alignment for a few language pairs across different word embeddings and displays great robustness to the dissimilarity of language pairs or training corpora for two word embeddings.

Finding an appropriate representation of dynamic activities in the brain is crucial for many downstream applications. Due to its highly dynamic nature, temporally averaged fMRI (functional magnetic resonance imaging) can only provide a narrow view of underlying brain activities. Previous works lack the ability to learn and interpret the latent dynamics in brain architectures. This paper builds an efficient graph neural network model that incorporates both region-mapped fMRI sequences and structural connectivities obtained from DWI (diffusion-weighted imaging) as inputs. We find good representations of the latent brain dynamics through learning sample-level adaptive adjacency matrices and performing a novel multi-resolution inner cluster smoothing. These modules can be easily adapted to and are potentially useful for other applications outside the neuroscience domain. We also attribute inputs with integrated gradients, which enables us to infer (1) highly involved brain connections and subnetworks for each task, (2) temporal keyframes of imaging sequences that characterize tasks, and (3) subnetworks that discriminate between individual subjects. This ability to identify critical subnetworks that characterize signal states across heterogeneous tasks and individuals is of great importance to neuroscience and other scientific domains. Extensive experiments and ablation studies demonstrate our proposed method's superiority and efficiency in spatial-temporal graph signal modeling with insightful interpretations of brain dynamics.

Discovering authoritative links between publications and the datasets that they use can be a labor-intensive process. We introduce a natural language processing pipeline that retrieves and reviews publications for informal references to research datasets, which complements the work of data librarians. We first describe the components of the pipeline and then apply it to expand an authoritative bibliography linking thousands of social science studies to the data-related publications in which they are used. The pipeline increases recall for literature to review for inclusion in data-related collections of publications and makes it possible to detect informal data references at scale. We contribute (1) a novel Named Entity Recognition (NER) model that reliably detects informal data references and (2) a dataset connecting items from social science literature with datasets they reference. Together, these contributions enable future work on data reference, data citation networks, and data reuse.

We present a fast, scalable, data-driven approach for solving linear relaxations of 0-1 integer linear programs using a graph neural network. Our solver is based on the Lagrange decomposition based algorithm FastDOG (Abbas et al. (2022)). We make the algorithm differentiable and perform backpropagation through the dual update scheme for end-to-end training of its algorithmic parameters. This allows to preserve the algorithm's theoretical properties including feasibility and guaranteed non-decrease in the lower bound. Since FastDOG can get stuck in suboptimal fixed points, we provide additional freedom to our graph neural network to predict non-parametric update steps for escaping such points while maintaining dual feasibility. For training of the graph neural network we use an unsupervised loss and perform experiments on large-scale real world datasets. We train on smaller problems and test on larger ones showing strong generalization performance with a graph neural network comprising only around 10k parameters. Our solver achieves significantly faster performance and better dual objectives than its non-learned version. In comparison to commercial solvers our learned solver achieves close to optimal objective values of LP relaxations and is faster by up to an order of magnitude on very large problems from structured prediction and on selected combinatorial optimization problems.

The ability of likelihood-based probabilistic models to generalize to unseen data is central to many machine learning applications such as lossless compression. In this work, we study the generalizations of a popular class of probabilistic models - the Variational Auto-Encoder (VAE). We point out the two generalization gaps that can affect the generalization ability of VAEs and show that the over-fitting phenomenon is usually dominated by the amortized inference network. Based on this observation we propose a new training objective, inspired by the classic wake-sleep algorithm, to improve the generalizations properties of amortized inference. We also demonstrate how it can improve generalization performance in the context of image modeling and lossless compression.

In a partially observable Markov decision process (POMDP), an agent typically uses a representation of the past to approximate the underlying MDP. We propose to utilize a frozen Pretrained Language Transformer (PLT) for history representation and compression to improve sample efficiency. To avoid training of the Transformer, we introduce FrozenHopfield, which automatically associates observations with original token embeddings. To form these associations, a modern Hopfield network stores the original token embeddings, which are retrieved by queries that are obtained by a random but fixed projection of observations. Our new method, HELM, enables actor-critic network architectures that contain a pretrained language Transformer for history representation as a memory module. Since a representation of the past need not be learned, HELM is much more sample efficient than competitors. On Minigrid and Procgen environments HELM achieves new state-of-the-art results. Our code is available at https://github.com/ml-jku/helm.

Probabilistic Graphical Models (PGMs) are generative models of complex systems. They rely on conditional independence assumptions between variables to learn sparse representations which can be visualized in a form of a graph. Such models are used for domain exploration and structure discovery in poorly understood domains. This work introduces a novel technique to perform sparse graph recovery by optimizing deep unrolled networks. Assuming that the input data $X\in\mathbb{R}^{M\times D}$ comes from an underlying multivariate Gaussian distribution, we apply a deep model on $X$ that outputs the precision matrix $\Theta$, which can also be interpreted as the adjacency matrix. Our model, uGLAD, builds upon and extends the state-of-the-art model GLAD to the unsupervised setting. The key benefits of our model are (1) uGLAD automatically optimizes sparsity-related regularization parameters leading to better performance than existing algorithms. (2) We introduce multi-task learning based `consensus' strategy for robust handling of missing data in an unsupervised setting. We evaluate model results on synthetic Gaussian data, non-Gaussian data generated from Gene Regulatory Networks, and present a case study in anaerobic digestion.

Group fairness ensures that the outcome of machine learning (ML) based decision making systems are not biased towards a certain group of people defined by a sensitive attribute such as gender or ethnicity. Achieving group fairness in Federated Learning (FL) is challenging because mitigating bias inherently requires using the sensitive attribute values of all clients, while FL is aimed precisely at protecting privacy by not giving access to the clients' data. As we show in this paper, this conflict between fairness and privacy in FL can be resolved by combining FL with Secure Multiparty Computation (MPC) and Differential Privacy (DP). In doing so, we propose a method for training group-fair ML models in cross-device FL under complete and formal privacy guarantees, without requiring the clients to disclose their sensitive attribute values.

We develop an optimization algorithm suitable for Bayesian learning in complex models. Our approach relies on natural gradient updates within a general black-box framework for efficient training with limited model-specific derivations. It applies within the class of exponential-family variational posterior distributions, for which we extensively discuss the Gaussian case for which the updates have a rather simple form. Our Quasi Black-box Variational Inference (QBVI) framework is readily applicable to a wide class of Bayesian inference problems and is of simple implementation as the updates of the variational posterior do not involve gradients with respect to the model parameters, nor the prescription of the Fisher information matrix. We develop QBVI under different hypotheses for the posterior covariance matrix, discuss details about its robust and feasible implementation, and provide a number of real-world applications to demonstrate its effectiveness.

Cardiomegaly is indeed a medical disease in which the heart is enlarged. Cardiomegaly is better to handle if caught early, so early detection is critical. The chest X-ray, being one of the most often used radiography examinations, has been used to detect and visualize abnormalities of human organs for decades. X-ray is also a significant medical diagnosis tool for cardiomegaly. Even for domain experts, distinguishing the many types of diseases from the X-ray is a difficult and time-consuming task. Deep learning models are also most effective when used on huge data sets, yet due to privacy concerns, large datasets are rarely available inside the medical industry. A Deep learning-based customized retrained U-Net model for detecting Cardiomegaly disease is presented in this research. In the training phase, chest X-ray images from the "ChestX-ray8" open source real dataset are used. To reduce computing time, this model performs data preprocessing, picture improvement, image compression, and classification before moving on to the training step. The work used a chest x-ray image dataset to simulate and produced a diagnostic accuracy of 94%, a sensitivity of 96.2 percent, and a specificity of 92.5 percent, which beats prior pre-trained model findings for identifying Cardiomegaly disease.

Functional magnetic resonance imaging (fMRI) enables examination of inter-regional interactions in the brain via functional connectivity (FC) analyses that measure the synchrony between the temporal activations of separate regions. Given their exceptional sensitivity, deep-learning methods have received growing interest for FC analyses of high-dimensional fMRI data. In this domain, models that operate directly on raw time series as opposed to pre-computed FC features have the potential benefit of leveraging the full scale of information present in fMRI data. However, previous models are based on architectures suboptimal for temporal integration of representations across multiple time scales. Here, we present BolT, blood-oxygen-level-dependent transformer, for analyzing multi-variate fMRI time series. BolT leverages a cascade of transformer encoders equipped with a novel fused window attention mechanism. Transformer encoding is performed on temporally-overlapped time windows within the fMRI time series to capture short time-scale representations. To integrate information across windows, cross-window attention is computed between base tokens in each time window and fringe tokens from neighboring time windows. To transition from local to global representations, the extent of window overlap and thereby number of fringe tokens is progressively increased across the cascade. Finally, a novel cross-window regularization is enforced to align the high-level representations of global $CLS$ features across time windows. Comprehensive experiments on public fMRI datasets clearly illustrate the superior performance of BolT against state-of-the-art methods. Posthoc explanatory analyses to identify landmark time points and regions that contribute most significantly to model decisions corroborate prominent neuroscientific findings from recent fMRI studies.

Federated Learning by nature is susceptible to low-quality, corrupted, or even malicious data that can severely degrade the quality of the learned model. Traditional techniques for data valuation cannot be applied as the data is never revealed. We present a novel technique for filtering, and scoring data based on a practical influence approximation that can be implemented in a privacy-preserving manner. Each agent uses his own data to evaluate the influence of another agent's batch, and reports to the center an obfuscated score using differential privacy. Our technique allows for almost perfect ($>92\%$ recall) filtering of corrupted data in a variety of applications using real-data. Importantly, the accuracy does not degrade significantly, even under really strong privacy guarantees ($\varepsilon \leq 1$), especially under realistic percentages of mislabeled data (for $15\%$ mislabeled data we only lose $10\%$ in accuracy).

Byzantine resilience emerged as a prominent topic within the distributed machine learning community. Essentially, the goal is to enhance distributed optimization algorithms, such as distributed SGD, in a way that guarantees convergence despite the presence of some misbehaving (a.k.a., {\em Byzantine}) workers. Although a myriad of techniques addressing the problem have been proposed, the field arguably rests on fragile foundations. These techniques are hard to prove correct and rely on assumptions that are (a) quite unrealistic, i.e., often violated in practice, and (b) heterogeneous, i.e., making it difficult to compare approaches. We present \emph{RESAM (RESilient Averaging of Momentums)}, a unified framework that makes it simple to establish optimal Byzantine resilience, relying only on standard machine learning assumptions. Our framework is mainly composed of two operators: \emph{resilient averaging} at the server and \emph{distributed momentum} at the workers. We prove a general theorem stating the convergence of distributed SGD under RESAM. Interestingly, demonstrating and comparing the convergence of many existing techniques become direct corollaries of our theorem, without resorting to stringent assumptions. We also present an empirical evaluation of the practical relevance of RESAM.

NLP models learn sentence representations for downstream tasks by tuning a model which is pre-trained by masked language modeling. However, after tuning, the learned sentence representations may be skewed heavily toward label space and thus are not expressive enough to represent whole samples, which should contain task-related information of both sentence inputs and labels. In this work, we learn expressive sentence representations for supervised tasks which (1). contain task-related information in the sentence inputs, and (2). enable correct label predictions. To achieve this goal, we first propose a new objective which explicitly points out the label token space in the input, and predicts categories of labels via an added [MASK] token. This objective encourages fusing the semantic information of both the label and sentence. Then we develop a neighbor attention module, added on a frozen pre-trained model, to build connections between label/sentence tokens via their neighbors. The propagation can be further guided by the regularization on neighborhood representations to encourage expressiveness. Experimental results show that, despite tuning only 5% additional parameters over a frozen pre-trained model, our model can achieve classification results comparable to the SOTA while maintaining strong expressiveness as well.

Many existing Neural Network pruning approaches either rely on retraining to compensate for pruning-caused performance degradation or they induce strong biases to converge to a specific sparse solution throughout training. A third paradigm obtains a wide range of compression ratios from a single dense training run while also avoiding retraining. Recent work of Pokutta et al. (2020) and Miao et al. (2022) suggests that the Stochastic Frank-Wolfe (SFW) algorithm is particularly suited for training state-of-the-art models that are robust to compression. We propose leveraging $k$-support norm ball constraints and demonstrate significant improvements over the results of Miao et al. (2022) in the case of unstructured pruning. We also extend these ideas to the structured pruning domain and propose novel approaches to both ensure robustness to the pruning of convolutional filters as well as to low-rank tensor decompositions of convolutional layers. In the latter case, our approach performs on-par with nuclear-norm regularization baselines while requiring only half of the computational resources. Our findings also indicate that the robustness of SFW-trained models largely depends on the gradient rescaling of the learning rate and we establish a theoretical foundation for that practice.

Stochastic programming is a powerful modeling framework for decision-making under uncertainty. In this work, we tackle two-stage stochastic programs (2SPs), the most widely applied and studied class of stochastic programming models. Solving 2SPs exactly requires evaluation of an expected value function that is computationally intractable. Additionally, having a mixed-integer linear program (MIP) or a nonlinear program (NLP) in the second stage further aggravates the problem difficulty. In such cases, solving them can be prohibitively expensive even if specialized algorithms that exploit problem structure are employed. Finding high-quality (first-stage) solutions -- without leveraging problem structure -- can be crucial in such settings. We develop Neur2SP, a new method that approximates the expected value function via a neural network to obtain a surrogate model that can be solved more efficiently than the traditional extensive formulation approach. Moreover, Neur2SP makes no assumptions about the problem structure, in particular about the second-stage problem, and can be implemented using an off-the-shelf solver and open-source libraries. Our extensive computational experiments on benchmark 2SP datasets from four problem classes with different structures (containing MIP and NLP second-stage problems) show the efficiency (time) and efficacy (solution quality) of Neur2SP. Specifically, the proposed method takes less than 1.66 seconds across all problems, achieving high-quality solutions even as the number of scenarios increases, an ideal property that is difficult to have for traditional 2SP solution techniques. Namely, the most generic baseline method typically requires minutes to hours to find solutions of comparable quality.

Given a small set of labeled data and a large set of unlabeled data, semi-supervised learning (SSL) attempts to leverage the location of the unlabeled datapoints in order to create a better classifier than could be obtained from supervised methods applied to the labeled training set alone. Effective SSL imposes structural assumptions on the data, e.g. that neighbors are more likely to share a classification or that the decision boundary lies in an area of low density. For complex and high-dimensional data, neural networks can learn feature embeddings to which traditional SSL methods can then be applied in what we call hybrid methods. Previously-developed hybrid methods iterate between refining a latent representation and performing graph-based SSL on this representation. In this paper, we introduce a novel hybrid method that instead applies low-density separation to the embedded features. We describe it in detail and discuss why low-density separation may be better suited for SSL on neural network-based embeddings than graph-based algorithms. We validate our method using in-house customer survey data and compare it to other state-of-the-art learning methods. Our approach effectively classifies thousands of unlabeled users from a relatively small number of hand-classified examples.

It is well established that graph neural networks (GNNs) can be interpreted and designed from the perspective of optimization objective. With this clear optimization objective, the deduced GNNs architecture has sound theoretical foundation, which is able to flexibly remedy the weakness of GNNs. However, this optimization objective is only proved for GNNs with single-relational graph. Can we infer a new type of GNNs for multi-relational graphs by extending this optimization objective, so as to simultaneously solve the issues in previous multi-relational GNNs, e.g., over-parameterization? In this paper, we propose a novel ensemble multi-relational GNNs by designing an ensemble multi-relational (EMR) optimization objective. This EMR optimization objective is able to derive an iterative updating rule, which can be formalized as an ensemble message passing (EnMP) layer with multi-relations. We further analyze the nice properties of EnMP layer, e.g., the relationship with multi-relational personalized PageRank. Finally, a new multi-relational GNNs which well alleviate the over-smoothing and over-parameterization issues are proposed. Extensive experiments conducted on four benchmark datasets well demonstrate the effectiveness of the proposed model.

This paper studies faithful explanations for Graph Neural Networks (GNNs). First, we provide a new and general method for formally characterizing the faithfulness of explanations for GNNs. It applies to existing explanation methods, including feature attributions and subgraph explanations. Second, our analytical and empirical results demonstrate that feature attribution methods cannot capture the nonlinear effect of edge features, while existing subgraph explanation methods are not faithful. Third, we introduce \emph{k-hop Explanation with a Convolutional Core} (KEC), a new explanation method that provably maximizes faithfulness to the original GNN by leveraging information about the graph structure in its adjacency matrix and its \emph{k-th} power. Lastly, our empirical results over both synthetic and real-world datasets for classification and anomaly detection tasks with GNNs demonstrate the effectiveness of our approach.

In this work, we propose using a quadratic model as a tool for understanding properties of wide neural networks in both optimization and generalization. We show analytically that certain deep learning phenomena such as the "catapult phase" from [Lewkowycz et al. 2020], which cannot be captured by linear models, are manifested in the quadratic model for shallow ReLU networks. Furthermore, our empirical results indicate that the behaviour of quadratic models parallels that of neural networks in generalization, especially in the large learning rate regime. We expect that quadratic models will serve as a useful tool for analysis of neural networks.

The capability to widely sample the state and action spaces is a key ingredient toward building effective reinforcement learning algorithms. The variational optimization principles exposed in this paper emphasize the importance of an occupancy model to synthesizes the general distribution of the agent's environmental states over which it can act (defining a virtual ``territory''). The occupancy model is the subject of frequent updates as the exploration progresses and that new states are undisclosed during the course of the training. By making a uniform prior assumption, the resulting objective expresses a balance between two concurrent tendencies, namely the widening of the occupancy space and the maximization of the rewards, reminding of the classical exploration/exploitation trade-off. Implemented on an actor-critic off-policy on classic continuous action benchmarks, it is shown to provide significant increase in the sampling efficacy, that is reflected in a reduced training time and higher returns, in both the dense and the sparse rewards cases.

Quantum machine learning is a rapidly evolving area that could facilitate important applications for quantum computing and significantly impact data science. In our work, we argue that a single Kerr mode might provide some extra quantum enhancements when using quantum kernel methods based on various reasons from complexity theory and physics. Furthermore, we establish an experimental protocol, which we call \emph{quantum Kerr learning} based on circuit QED. A detailed study using the kernel method, neural tangent kernel theory, first-order perturbation theory of the Kerr non-linearity, and non-perturbative numerical simulations, shows quantum enhancements could happen in terms of the convergence time and the generalization error, while explicit protocols are also constructed for higher-dimensional input data.

Jupyter Notebook is the tool of choice of many data scientists in the early stages of ML workflows. The notebook format, however, has been criticized for inducing bad programming practices; indeed, researchers have already shown that open-source repositories are inundated by poor-quality notebooks. Low-quality output from the prototypical stages of ML workflows constitutes a clear bottleneck towards the productization of ML models. To foster the creation of better notebooks, we developed Pynblint, a static analyzer for Jupyter notebooks written in Python. The tool checks the compliance of notebooks (and surrounding repositories) with a set of empirically validated best practices and provides targeted recommendations when violations are detected.

In this paper we show that feedforward neural networks corresponding to arbitrary directed acyclic graphs undergo transition to linearity as their "width" approaches infinity. The width of these general networks is characterized by the minimum in-degree of their neurons, except for the input and first layers. Our results identify the mathematical structure underlying transition to linearity and generalize a number of recent works aimed at characterizing transition to linearity or constancy of the Neural Tangent Kernel for standard architectures.

Trojan attacks threaten deep neural networks (DNNs) by poisoning them to behave normally on most samples, yet to produce manipulated results for inputs attached with a particular trigger. Several works attempt to detect whether a given DNN has been injected with a specific trigger during the training. In a parallel line of research, the lottery ticket hypothesis reveals the existence of sparse subnetworks which are capable of reaching competitive performance as the dense network after independent training. Connecting these two dots, we investigate the problem of Trojan DNN detection from the brand new lens of sparsity, even when no clean training data is available. Our crucial observation is that the Trojan features are significantly more stable to network pruning than benign features. Leveraging that, we propose a novel Trojan network detection regime: first locating a "winning Trojan lottery ticket" which preserves nearly full Trojan information yet only chance-level performance on clean inputs; then recovering the trigger embedded in this already isolated subnetwork. Extensive experiments on various datasets, i.e., CIFAR-10, CIFAR-100, and ImageNet, with different network architectures, i.e., VGG-16, ResNet-18, ResNet-20s, and DenseNet-100 demonstrate the effectiveness of our proposal. Codes are available at https://github.com/VITA-Group/Backdoor-LTH.

The layered structure of deep neural networks hinders the use of numerous analysis tools and thus the development of its interpretability. Inspired by the success of functional brain networks, we propose a novel framework for interpretability of deep neural networks, that is, the functional network. We construct the functional network of fully connected networks and explore its small-worldness. In our experiments, the mechanisms of regularization methods, namely, batch normalization and dropout, are revealed using graph theoretical analysis and topological data analysis. Our empirical analysis shows the following: (1) Batch normalization enhances model performance by increasing the global e ciency and the number of loops but reduces adversarial robustness by lowering the fault tolerance. (2) Dropout improves generalization and robustness of models by improving the functional specialization and fault tolerance. (3) The models with dierent regularizations can be clustered correctly according to their functional topological dierences, re ecting the great potential of the functional network and topological data analysis in interpretability.

The binomial deviance and the SVM hinge loss functions are two of the most widely used loss functions in machine learning. While there are many similarities between them, they also have their own strengths when dealing with different types of data. In this work, we introduce a new exponential family based on a convex relaxation of the hinge loss function using softness and class-separation parameters. This new family, denoted Soft-SVM, allows us to prescribe a generalized linear model that effectively bridges between logistic regression and SVM classification. This new model is interpretable and avoids data separability issues, attaining good fitting and predictive performance by automatically adjusting for data label separability via the softness parameter. These results are confirmed empirically through simulations and case studies as we compare regularized logistic, SVM, and Soft-SVM regressions and conclude that the proposed model performs well in terms of both classification and prediction errors.

This paper introduces a novel generative adversarial network (GAN) for synthesizing large-scale tabular databases which contain various features such as continuous, discrete, and binary. Technically, our GAN belongs to the category of class-conditioned generative models with a predefined conditional vector. However, we propose a new formulation for deriving such a vector incorporating both binary and discrete features simultaneously. We refer to this noble definition as compound conditional vector and employ it for training the generator network. The core architecture of this network is a three-layered deep residual neural network with skip connections. For improving the stability of such complex architecture, we present a regularization scheme towards limiting unprecedented variations on its weight vectors during training. This regularization approach is quite compatible with the nature of adversarial training and it is not computationally prohibitive in runtime. Furthermore, we constantly monitor the variation of the weight vectors for identifying any potential instabilities or irregularities to measure the strength of our proposed regularizer. Toward this end, we also develop a new metric for tracking sudden perturbation on the weight vectors using the singular value decomposition theory. Finally, we evaluate the performance of our proposed synthesis approach on six benchmarking tabular databases, namely Adult, Census, HCDR, Cabs, News, and King. The achieved results corroborate that for the majority of the cases, our proposed RccGAN outperforms other conventional and modern generative models in terms of accuracy, stability, and reliability.

We propose Byzantine-robust federated learning protocols with nearly optimal statistical rates. In contrast to prior work, our proposed protocols improve the dimension dependence and achieve a tight statistical rate in terms of all the parameters for strongly convex losses. We benchmark against competing protocols and show the empirical superiority of the proposed protocols. Finally, we remark that our protocols with bucketing can be naturally combined with privacy-guaranteeing procedures to introduce security against a semi-honest server. The code for evaluation is provided in https://github.com/wanglun1996/secure-robust-federated-learning.

Backdoor attacks are a major concern in federated learning (FL) pipelines where training data is sourced from untrusted clients over long periods of time (i.e., continual learning). Preventing such attacks is difficult because defenders in FL do not have access to raw training data. Moreover, in a phenomenon we call backdoor leakage, models trained continuously eventually suffer from backdoors due to cumulative errors in backdoor defense mechanisms. We propose a novel framework for defending against backdoor attacks in the federated continual learning setting. Our framework trains two models in parallel: a backbone model and a shadow model. The backbone is trained without any defense mechanism to obtain good performance on the main task. The shadow model combines recent ideas from robust covariance estimation-based filters with early-stopping to control the attack success rate even as the data distribution changes. We provide theoretical motivation for this design and show experimentally that our framework significantly improves upon existing defenses against backdoor attacks.

Organizations leverage anomaly and changepoint detection algorithms to detect changes in user behavior or service availability and performance. Many off-the-shelf detection algorithms, though effective, cannot readily be used in large organizations where thousands of users monitor millions of use cases and metrics with varied time series characteristics and anomaly patterns. The selection of algorithm and parameters needs to be precise for each use case: manual tuning does not scale, and automated tuning requires ground truth, which is rarely available. In this paper, we explore MOSPAT, an end-to-end automated machine learning based approach for model and parameter selection, combined with a generative model to produce labeled data. Our scalable end-to-end system allows individual users in large organizations to tailor time-series monitoring to their specific use case and data characteristics, without expert knowledge of anomaly detection algorithms or laborious manual labeling. Our extensive experiments on real and synthetic data demonstrate that this method consistently outperforms using any single algorithm.

The stochastic block model is a canonical random graph model for clustering and community detection on network-structured data. Decades of extensive study on the problem have established many profound results, among which the phase transition at the Kesten-Stigum threshold is particularly interesting both from a mathematical and an applied standpoint. It states that no estimator based on the network topology can perform substantially better than chance on sparse graphs if the model parameter is below certain threshold. Nevertheless, if we slightly extend the horizon to the ubiquitous semi-supervised setting, such a fundamental limitation will disappear completely. We prove that with arbitrary fraction of the labels revealed, the detection problem is feasible throughout the parameter domain. Moreover, we introduce two efficient algorithms, one combinatorial and one based on optimization, to integrate label information with graph structures. Our work brings a new perspective to stochastic model of networks and semidefinite program research.

Autoencoders (AE) provide a useful method for nonlinear dimensionality reduction but are ill-suited for low data regimes. Conversely, Principal Component Analysis (PCA) is data-efficient but is limited to linear dimensionality reduction, posing a problem when data exhibits inherent nonlinearity. This presents a challenge in various scientific and engineering domains such as the nanophotonic component design, where data exhibits nonlinear features while being expensive to obtain due to costly real measurements or resource-consuming solutions of partial differential equations. To address this difficulty, we propose a technique that harnesses the best of both worlds: an autoencoder that leverages PCA to perform well on scarce nonlinear data. Specifically, we outline a numerically robust PCA-based initialization of AE, which, together with the parameterized ReLU activation function, allows the training process to start from an exact PCA solution and improve upon it. A synthetic example is presented first to study the effects of data nonlinearity and size on the performance of the proposed method. We then evaluate our method on several nanophotonic component design problems where obtaining useful data is expensive. To demonstrate universality, we also apply it to tasks in other scientific domains: a benchmark breast cancer dataset and a gene expression dataset. We show that our proposed approach is substantially better than both PCA and randomly initialized AE in the majority of low-data regime cases we consider, or at least is comparable to the best of either of the other two methods.

This paper seeks to design a machine learning twin of the optimal power flow (OPF) optimization, which is used in market-clearing procedures by wholesale electricity markets. The motivation for the proposed approach stems from the need to obtain the digital twin, which is much faster than the original, while also being sufficiently accurate and producing consistent generation dispatches and locational marginal prices (LMPs), which are primal and dual solutions of the OPF optimization, respectively. Availability of market-clearing tools based on this approach will enable computationally tractable evaluation of multiple dispatch scenarios under a given unit commitment. Rather than direct solution of OPF, the Karush-Kuhn-Tucker (KKT) conditions for the OPF problem in question may be written, and in parallel the LMPs of generators and loads may be expressed in terms of the OPF Lagrangian multipliers. Also, taking advantage of the practical fact that many of the Lagrangian multipliers associated with lines will be zero (thermal limits are not binding), we build and train an ML scheme which maps flexible resources (loads and renewables) to the binding lines, and supplement it with an efficient power-grid aware linear map to optimal dispatch and LMPs. The scheme is validated and illustrated on IEEE models. We also report a trade of analysis between quality of the reconstruction and number of samples needed to train the model.

Fast identification of new network attack patterns is crucial for improving network security. Nevertheless, identifying an ongoing attack in a heterogeneous network is a non-trivial task. Federated learning emerges as a solution to collaborative training for an Intrusion Detection System (IDS). The federated learning-based IDS trains a global model using local machine learning models provided by federated participants without sharing local data. However, optimization challenges are intrinsic to federated learning. This paper proposes the Federated Simulated Annealing (FedSA) metaheuristic to select the hyperparameters and a subset of participants for each aggregation round in federated learning. FedSA optimizes hyperparameters linked to the global model convergence. The proposal reduces aggregation rounds and speeds up convergence. Thus, FedSA accelerates learning extraction from local models, requiring fewer IDS updates. The proposal assessment shows that the FedSA global model converges in less than ten communication rounds. The proposal requires up to 50% fewer aggregation rounds to achieve approximately 97% accuracy in attack detection than the conventional aggregation approach.

The paper describes the deep learning approach for forecasting non-stationary time series with using time trend correction in a neural network model. Along with the layers for predicting sales values, the neural network model includes a subnetwork block for the prediction weight for a time trend term which is added to a predicted sales value. The time trend term is considered as a product of the predicted weight value and normalized time value. The results show that the forecasting accuracy can be essentially improved for non-stationary sales with time trends using the trend correction block in the deep learning model.

In recent years neural networks have achieved state-of-the-art accuracy for various tasks but the the interpretation of the generated outputs still remains difficult. In this work we attempt to provide a method to understand the learnt weights in the final fully connected layer in image classification models. We motivate our method by drawing a connection between the policy gradient objective in RL and supervised learning objective. We suggest that the commonly used cross entropy based supervised learning objective can be regarded as a special case of the policy gradient objective. Using this insight we propose a method to find the most discriminative and confusing parts of an image. Our method does not make any prior assumption about neural network achitecture and has low computational cost. We apply our method on publicly available pre-trained models and report the generated results.

We use a Convolutional Neural Network (CNN) to identify the relevant features in the thermodynamical phases of a simulated three-dimensional spin-lattice system with ferromagnetic and Dzyaloshinskii-Moriya (DM) interactions. Such features include (anti-)skyrmions, merons, and helical and ferromagnetic states. We use a multi-label classification framework, which is flexible enough to accommodate states that mix different features and phases. We then train the CNN to predict the features of the final state from snapshots of intermediate states of the simulation. The trained model allows identifying the different phases reliably and early in the formation process. Thus, the CNN can significantly speed up the phase diagram calculations by predicting the final phase before the spin-lattice Monte Carlo sampling has converged. We show the prowess of this approach by generating phase diagrams with significantly shorter simulation times.

As increasingly more software services have been published onto the Internet, it remains a significant challenge to recommend suitable services to facilitate scientific workflow composition. This paper proposes a novel NLP-inspired approach to recommending services throughout a workflow development process, based on incrementally learning latent service representation from workflow provenance. A workflow composition process is formalized as a step-wise, context-aware service generation procedure, which is mapped to next-word prediction in a natural language sentence. Historical service dependencies are extracted from workflow provenance to build and enrich a knowledge graph. Each path in the knowledge graph reflects a scenario in a data analytics experiment, which is analogous to a sentence in a conversation. All paths are thus formalized as composable service sequences and are mined, using various patterns, from the established knowledge graph to construct a corpus. Service embeddings are then learned by applying deep learning model from the NLP field. Extensive experiments on the real-world dataset demonstrate the effectiveness and efficiency of the approach.

Arbitrary-oriented object representations contain the oriented bounding box (OBB), quadrilateral bounding box (QBB), and point set (PointSet). Each representation encounters problems that correspond to its characteristics, such as the boundary discontinuity, square-like problem, representation ambiguity, and isolated points, which lead to inaccurate detection. Although many effective strategies have been proposed for various representations, there is still no unified solution. Current detection methods based on Gaussian modeling have demonstrated the possibility of breaking this dilemma; however, they remain limited to OBB. To go further, in this paper, we propose a unified Gaussian representation called G-Rep to construct Gaussian distributions for OBB, QBB, and PointSet, which achieves a unified solution to various representations and problems. Specifically, PointSet or QBB-based objects are converted into Gaussian distributions, and their parameters are optimized using the maximum likelihood estimation algorithm. Then, three optional Gaussian metrics are explored to optimize the regression loss of the detector because of their excellent parameter optimization mechanisms. Furthermore, we also use Gaussian metrics for sampling to align label assignment and regression loss. Experimental results on several public available datasets, DOTA, HRSC2016, UCAS-AOD, and ICDAR2015 show the excellent performance of the proposed method for arbitrary-oriented object detection. The code has been open sourced at https://github.com/open-mmlab/mmrotate.

Complex diseases are caused by a multitude of factors that may differ between patients. As a result, hypothesis tests comparing all patients to all healthy controls can detect many significant variables with inconsequential effect sizes. A few highly predictive root causes may nevertheless generate disease within each patient. In this paper, we define patient-specific root causes as variables subject to exogenous "shocks" which go on to perturb an otherwise healthy system and induce disease. In other words, the variables are associated with the exogenous errors of a structural equation model (SEM), and these errors predict a downstream diagnostic label. We quantify predictivity using sample-specific Shapley values. This derivation allows us to develop a fast algorithm called Root Causal Inference for identifying patient-specific root causes by extracting the error terms of a linear SEM and then computing the Shapley value associated with each error. Experiments highlight considerable improvements in accuracy because the method uncovers root causes that may have large effect sizes at the individual level but clinically insignificant effect sizes at the group level. An R implementation is available at github.com/ericstrobl/RCI.

In the era of big data, there is an increasing demand for new methods for analyzing and forecasting 2-dimensional data. The current research aims to accomplish these goals through the combination of time-series modeling and multilinear algebraic systems. We expand previous autoregressive techniques to forecast multilinear data, aptly named the L-Transform Tensor autoregressive (L-TAR for short). Tensor decompositions and multilinear tensor products have allowed for this approach to be a feasible method of forecasting. We achieve statistical independence between the columns of the observations through invertible discrete linear transforms, enabling a divide and conquer approach. We present an experimental validation of the proposed methods on datasets containing image collections, video sequences, sea surface temperature measurements, stock prices, and networks.

We study episodic two-player zero-sum Markov games (MGs) in the offline setting, where the goal is to find an approximate Nash equilibrium (NE) policy pair based on a dataset collected a priori. When the dataset does not have uniform coverage over all policy pairs, finding an approximate NE involves challenges in three aspects: (i) distributional shift between the behavior policy and the optimal policy, (ii) function approximation to handle large state space, and (iii) minimax optimization for equilibrium solving. We propose a pessimism-based algorithm, dubbed as pessimistic minimax value iteration (PMVI), which overcomes the distributional shift by constructing pessimistic estimates of the value functions for both players and outputs a policy pair by solving NEs based on the two value functions. Furthermore, we establish a data-dependent upper bound on the suboptimality which recovers a sublinear rate without the assumption on uniform coverage of the dataset. We also prove an information-theoretical lower bound, which suggests that the data-dependent term in the upper bound is intrinsic. Our theoretical results also highlight a notion of "relative uncertainty", which characterizes the necessary and sufficient condition for achieving sample efficiency in offline MGs. To the best of our knowledge, we provide the first nearly minimax optimal result for offline MGs with function approximation.

Parameter reconstructions are indispensable in metrology. Here, the objective is to to explain $K$ experimental measurements by fitting to them a parameterized model of the measurement process. The model parameters are regularly determined by least-square methods, i.e., by minimizing the sum of the squared residuals between the $K$ model predictions and the $K$ experimental observations, $\chi^2$. The model functions often involve computationally demanding numerical simulations. Bayesian optimization methods are specifically suited for minimizing expensive model functions. However, in contrast to least-square methods such as the Levenberg-Marquardt algorithm, they only take the value of $\chi^2$ into account, and neglect the $K$ individual model outputs. We present a Bayesian target-vector optimization scheme with improved performance over previous developments, that considers all $K$ contributions of the model function and that is specifically suited for parameter reconstruction problems which are often based on hundreds of observations. Its performance is compared to established methods for an optical metrology reconstruction problem and two synthetic least-squares problems. The proposed method outperforms established optimization methods. It also enables to determine accurate uncertainty estimates with very few observations of the actual model function by using Markov chain Monte Carlo sampling on a trained surrogate model.

We present an upper bound for the Single Channel Speech Separation task, which is based on an assumption regarding the nature of short segments of speech. Using the bound, we are able to show that while the recent methods have made significant progress for a few speakers, there is room for improvement for five and ten speakers. We then introduce a Deep neural network, SepIt, that iteratively improves the different speakers' estimation. At test time, SpeIt has a varying number of iterations per test sample, based on a mutual information criterion that arises from our analysis. In an extensive set of experiments, SepIt outperforms the state-of-the-art neural networks for 2, 3, 5, and 10 speakers.

Unlearnable examples (ULEs) aim to protect data from unauthorized usage for training DNNs. Error-minimizing noise, which is injected to clean data, is one of the most successful methods for preventing DNNs from giving correct predictions on incoming new data. Nonetheless, under specific training strategies such as adversarial training, the unlearnability of error-minimizing noise will severely degrade. In addition, the transferability of error-minimizing noise is inherently limited by the mismatch between the generator model and the targeted learner model. In this paper, we investigate the mechanism of unlearnable examples and propose a novel model-free method, named \emph{One-Pixel Shortcut}, which only perturbs a single pixel of each image and makes the dataset unlearnable. Our method needs much less computational cost and obtains stronger transferability and thus can protect data from a wide range of different models. Based on this, we further introduce the first unlearnable dataset called CIFAR-10-S, which is indistinguishable from normal CIFAR-10 by human observers and can serve as a benchmark for different models or training strategies to evaluate their abilities to extract critical features from the disturbance of non-semantic representations. The original error-minimizing ULEs will lose efficiency under adversarial training, where the model can get over 83\% clean test accuracy. Meanwhile, even if adversarial training and strong data augmentation like RandAugment are applied together, the model trained on CIFAR-10-S cannot get over 50\% clean test accuracy.

This is a tutorial and survey paper on factor analysis, probabilistic Principal Component Analysis (PCA), variational inference, and Variational Autoencoder (VAE). These methods, which are tightly related, are dimensionality reduction and generative models. They assume that every data point is generated from or caused by a low-dimensional latent factor. By learning the parameters of distribution of latent space, the corresponding low-dimensional factors are found for the sake of dimensionality reduction. For their stochastic and generative behaviour, these models can also be used for generation of new data points in the data space. In this paper, we first start with variational inference where we derive the Evidence Lower Bound (ELBO) and Expectation Maximization (EM) for learning the parameters. Then, we introduce factor analysis, derive its joint and marginal distributions, and work out its EM steps. Probabilistic PCA is then explained, as a special case of factor analysis, and its closed-form solutions are derived. Finally, VAE is explained where the encoder, decoder and sampling from the latent space are introduced. Training VAE using both EM and backpropagation are explained.

Mixtures of ranking models are standard tools for ranking problems. However, even the fundamental question of parameter identifiability is not fully understood: the identifiability of a mixture model with two Bradley-Terry-Luce (BTL) components has remained open. In this work, we show that popular mixtures of ranking models with two components (BTL, multinomial logistic models with slates of size 3, or Plackett-Luce) are generically identifiable, i.e., the ground-truth parameters can be identified except when they are from a pathological subset of measure zero. We provide a framework for verifying the number of solutions in a general family of polynomial systems using algebraic geometry, and apply it to these mixtures of ranking models to establish generic identifiability. The framework can be applied more broadly to other learning models and may be of independent interest.

In this work, we provide a characterization of the feature-learning process in two-layer ReLU networks trained by gradient descent on the logistic loss following random initialization. We consider data with binary labels that are generated by an XOR-like function of the input features. We permit a constant fraction of the training labels to be corrupted by an adversary. We show that, although linear classifiers are no better than random guessing for the distribution we consider, two-layer ReLU networks trained by gradient descent achieve generalization error close to the label noise rate. We develop a novel proof technique that shows that at initialization, the vast majority of neurons function as random features that are only weakly correlated with useful features, and the gradient descent dynamics 'amplify' these weak, random features to strong, useful features.

Recently, neural networks have been shown to perform exceptionally well in transforming two arbitrary sets into two linearly separable sets. Doing this with a randomly initialized neural network is of immense interest because the associated computation is cheaper than using fully trained networks. In this paper, we show that, with sufficient width, a randomly initialized one-layer neural network transforms two sets into two linearly separable sets with high probability. Furthermore, we provide explicit bounds on the required width of the neural network for this to occur. Our first bound is exponential in the input dimension and polynomial in all other parameters, while our second bound is independent of the input dimension, thereby overcoming the curse of dimensionality. We also perform an experimental study comparing the separation capacity of randomly initialized one-layer and two-layer neural networks. With correctly chosen biases, our study shows for low-dimensional data, the two-layer neural network outperforms the one-layer network. However, the opposite is observed for higher-dimensional data.

In this paper, we propose a weak approximation of the reflection coupling (RC) for stochastic differential equations (SDEs), and prove it converges weakly to the desired coupling. In contrast to the RC, the proposed approximate reflection coupling (ARC) need not take the hitting time of processes to the diagonal set into consideration and can be defined as the solution of some SDEs on the whole time interval. Therefore, ARC can work effectively against SDEs with different drift terms. As an application of ARC, an evaluation on the effectiveness of the stochastic gradient descent in a non-convex setting is also described. For the sample size $n$, the step size $\eta$, and the batch size $B$, we derive uniform evaluations on the time with orders $n^{-1}$, $\eta^{1/2}$, and $\sqrt{(n - B) / B (n - 1)}$, respectively.

We study for the first time uncertainty-aware modeling of continuous-time dynamics of interacting objects. We introduce a new model that decomposes independent dynamics of single objects accurately from their interactions. By employing latent Gaussian process ordinary differential equations, our model infers both independent dynamics and their interactions with reliable uncertainty estimates. In our formulation, each object is represented as a graph node and interactions are modeled by accumulating the messages coming from neighboring objects. We show that efficient inference of such a complex network of variables is possible with modern variational sparse Gaussian process inference techniques. We empirically demonstrate that our model improves the reliability of long-term predictions over neural network based alternatives and it successfully handles missing dynamic or static information. Furthermore, we observe that only our model can successfully encapsulate independent dynamics and interaction information in distinct functions and show the benefit from this disentanglement in extrapolation scenarios.

In a partially observable Markov decision process (POMDP), an agent typically uses a representation of the past to approximate the underlying MDP. We propose to utilize a frozen Pretrained Language Transformer (PLT) for history representation and compression to improve sample efficiency. To avoid training of the Transformer, we introduce FrozenHopfield, which automatically associates observations with original token embeddings. To form these associations, a modern Hopfield network stores the original token embeddings, which are retrieved by queries that are obtained by a random but fixed projection of observations. Our new method, HELM, enables actor-critic network architectures that contain a pretrained language Transformer for history representation as a memory module. Since a representation of the past need not be learned, HELM is much more sample efficient than competitors. On Minigrid and Procgen environments HELM achieves new state-of-the-art results. Our code is available at https://github.com/ml-jku/helm.

The use of pessimism, when reasoning about datasets lacking exhaustive exploration has recently gained prominence in offline reinforcement learning. Despite the robustness it adds to the algorithm, overly pessimistic reasoning can be equally damaging in precluding the discovery of good policies, which is an issue for the popular bonus-based pessimism. In this paper, we introduce the notion of Bellman-consistent pessimism for general function approximation: instead of calculating a point-wise lower bound for the value function, we implement pessimism at the initial state over the set of functions consistent with the Bellman equations. Our theoretical guarantees only require Bellman closedness as standard in the exploratory setting, in which case bonus-based pessimism fails to provide guarantees. Even in the special case of linear function approximation where stronger expressivity assumptions hold, our result improves upon a recent bonus-based approach by $\mathcal{O}(d)$ in its sample complexity when the action space is finite. Remarkably, our algorithms automatically adapt to the best bias-variance tradeoff in the hindsight, whereas most prior approaches require tuning extra hyperparameters a priori.

A novel multi-task Gaussian process (GP) framework is proposed, by using a common mean process for sharing information across tasks. In particular, we investigate the problem of time series forecasting, with the objective to improve multiple-step-ahead predictions. The common mean process is defined as a GP for which the hyper-posterior distribution is tractable. Therefore an EM algorithm is derived for handling both hyper-parameters optimisation and hyper-posterior computation. Unlike previous approaches in the literature, the model fully accounts for uncertainty and can handle irregular grids of observations while maintaining explicit formulations, by modelling the mean process in a unified GP framework. Predictive analytical equations are provided, integrating information shared across tasks through a relevant prior mean. This approach greatly improves the predictive performances, even far from observations, and may reduce significantly the computational complexity compared to traditional multi-task GP models. Our overall algorithm is called \textsc{Magma} (standing for Multi tAsk Gaussian processes with common MeAn). The quality of the mean process estimation, predictive performances, and comparisons to alternatives are assessed in various simulated scenarios and on real datasets.

While classic studies proved that wide networks allow universal approximation, recent research and successes of deep learning demonstrate the power of deep networks. Based on a symmetric consideration, we investigate if the design of artificial neural networks should have a directional preference, and what the mechanism of interaction is between the width and depth of a network. Inspired by the De Morgan law, we address this fundamental question by establishing a quasi-equivalence between the width and depth of ReLU networks in two aspects. First, we formulate two transforms for mapping an arbitrary ReLU network to a wide network and a deep network respectively for either regression or classification so that the essentially same capability of the original network can be implemented. Then, we replace the mainstream artificial neuron type with a quadratic counterpart, and utilize the factorization and continued fraction representations of the same polynomial function to construct a wide network and a deep network, respectively. Based on our findings, a deep network has a wide equivalent, and vice versa, subject to an arbitrarily small error.

Unlike matrix completion, tensor completion does not have an algorithm that is known to achieve the information-theoretic sample complexity rate. This paper develops a new algorithm for the special case of completion for nonnegative tensors. We prove that our algorithm converges in a linear (in numerical tolerance) number of oracle steps, while achieving the information-theoretic rate. Our approach is to define a new norm for nonnegative tensors using the gauge of a particular 0-1 polytope; integer linear programming can, in turn, be used to solve linear separation problems over this polytope. We combine this insight with a variant of the Frank-Wolfe algorithm to construct our numerical algorithm, and we demonstrate its effectiveness and scalability through computational experiments using a laptop on tensors with up to one-hundred million entries.

This work theoretically studies stochastic neural networks, a main type of neural network in use. We prove that as the width of an optimized stochastic neural network tends to infinity, its predictive variance on the training set decreases to zero. Our theory justifies the common intuition that adding stochasticity to the model can help regularize the model by introducing an averaging effect. Two common examples that our theory can be relevant to are neural networks with dropout and Bayesian latent variable models in a special limit. Our result thus helps better understand how stochasticity affects the learning of neural networks and potentially design better architectures for practical problems.

A fundamental challenge for any intelligent system is prediction: given some inputs, can you predict corresponding outcomes? Most work on supervised learning has focused on producing accurate marginal predictions for each input. However, we show that for a broad class of decision problems, accurate joint predictions are required to deliver good performance. In particular, we establish several results pertaining to combinatorial decision problems, sequential predictions, and multi-armed bandits to elucidate the essential role of joint predictive distributions. Our treatment of multi-armed bandits introduces an approximate Thompson sampling algorithm and analytic techniques that lead to a new kind of regret bound.

We consider reinforcement learning for continuous-time Markov decision processes (MDPs) in the infinite-horizon, average-reward setting. In contrast to discrete-time MDPs, a continuous-time process moves to a state and stays there for a random holding time after an action is taken. With unknown transition probabilities and rates of exponential holding times, we derive instance-dependent regret lower bounds that are logarithmic in the time horizon. Moreover, we design a learning algorithm and establish a finite-time regret bound that achieves the logarithmic growth rate. Our analysis builds upon upper confidence reinforcement learning, a delicate estimation of the mean holding times, and stochastic comparison of point processes.

We consider an adversarial variant of the classic $K$-armed linear contextual bandit problem where the sequence of loss functions associated with each arm are allowed to change without restriction over time. Under the assumption that the $d$-dimensional contexts are generated i.i.d.~at random from a known distributions, we develop computationally efficient algorithms based on the classic Exp3 algorithm. Our first algorithm, RealLinExp3, is shown to achieve a regret guarantee of $\widetilde{O}(\sqrt{KdT})$ over $T$ rounds, which matches the best available bound for this problem. Our second algorithm, RobustLinExp3, is shown to be robust to misspecification, in that it achieves a regret bound of $\widetilde{O}((Kd)^{1/3}T^{2/3}) + \varepsilon \sqrt{d} T$ if the true reward function is linear up to an additive nonlinear error uniformly bounded in absolute value by $\varepsilon$. To our knowledge, our performance guarantees constitute the very first results on this problem setting.

We analyze graph smoothing with \emph{mean aggregation}, where each node successively receives the average of the features of its neighbors. Indeed, it has quickly been observed that Graph Neural Networks (GNNs), which generally follow some variant of Message-Passing (MP) with repeated aggregation, may be subject to the \emph{oversmoothing} phenomenon: by performing too many rounds of MP, the node features tend to converge to a non-informative limit. In the case of mean aggregation, for connected graphs, the node features become constant across the whole graph. At the other end of the spectrum, it is intuitively obvious that \emph{some} MP rounds are necessary, but existing analyses do not exhibit both phenomena at once: beneficial ``finite'' smoothing and oversmoothing in the limit. In this paper, we consider simplified linear GNNs, and rigorously analyze two examples for which a finite number of mean aggregation steps provably improves the learning performance, before oversmoothing kicks in. We consider a latent space random graph model, where node features are partial observations of the latent variables and the graph contains pairwise relationships between them. We show that graph smoothing restores some of the lost information, up to a certain point, by two phenomenon: graph smoothing shrinks non-principal directions in the data faster than principal ones, which is useful for regression, and shrinks nodes within communities faster than they collapse together, which improves classification.

Continuous-time reinforcement learning offers an appealing formalism for describing control problems in which the passage of time is not naturally divided into discrete increments. Here we consider the problem of predicting the distribution of returns obtained by an agent interacting in a continuous-time, stochastic environment. Accurate return predictions have proven useful for determining optimal policies for risk-sensitive control, learning state representations, multiagent coordination, and more. We begin by establishing the distributional analogue of the Hamilton-Jacobi-Bellman (HJB) equation for It\^o diffusions and the broader class of Feller-Dynkin processes. We then specialize this equation to the setting in which the return distribution is approximated by $N$ uniformly-weighted particles, a common design choice in distributional algorithms. Our derivation highlights additional terms due to statistical diffusivity which arise from the proper handling of distributions in the continuous-time setting. Based on this, we propose a tractable algorithm for approximately solving the distributional HJB based on a JKO scheme, which can be implemented in an online control algorithm. We demonstrate the effectiveness of such an algorithm in a synthetic control problem.

High dimensional distributions, especially those with heavy tails, are notoriously difficult for off-the-shelf MCMC samplers: the combination of unbounded state spaces, diminishing gradient information, and local moves, results in empirically observed "stickiness" and poor theoretical mixing properties -- lack of geometric ergodicity. In this paper, we introduce a new class of MCMC samplers that map the original high dimensional problem in Euclidean space onto a sphere and remedy these notorious mixing problems. In particular, we develop random-walk Metropolis type algorithms as well as versions of Bouncy Particle Sampler that are uniformly ergodic for a large class of light and heavy-tailed distributions and also empirically exhibit rapid convergence in high dimensions. In the best scenario, the proposed samplers can enjoy the ``blessings of dimensionality'' that the mixing time decreases with dimension.

Classical asymptotic theory for statistical inference usually involves calibrating a statistic by fixing the dimension $d$ while letting the sample size $n$ increase to infinity. Recently, much effort has been dedicated towards understanding how these methods behave in high-dimensional settings, where $d$ and $n$ both increase to infinity together. This often leads to different inference procedures, depending on the assumptions about the dimensionality, leaving the practitioner in a bind: given a dataset with 100 samples in 20 dimensions, should they calibrate by assuming $n \gg d$, or $d/n \approx 0.2$? This paper considers the goal of dimension-agnostic inference; developing methods whose validity does not depend on any assumption on $d$ versus $n$. We introduce an approach that uses variational representations of existing test statistics along with sample splitting and self-normalization to produce a new test statistic with a Gaussian limiting distribution. The resulting statistic can be viewed as a careful modification of degenerate U-statistics, dropping diagonal blocks and retaining off-diagonal blocks. We exemplify our technique for a handful of classical problems including one-sample mean and covariance testing. Our tests are shown to have minimax rate-optimal power against appropriate local alternatives, and their power is optimal up to a $\sqrt 2$ factor. We end by suggesting some next steps for extending dimension-agnostic inference to other problems.

The stochastic block model is a canonical random graph model for clustering and community detection on network-structured data. Decades of extensive study on the problem have established many profound results, among which the phase transition at the Kesten-Stigum threshold is particularly interesting both from a mathematical and an applied standpoint. It states that no estimator based on the network topology can perform substantially better than chance on sparse graphs if the model parameter is below certain threshold. Nevertheless, if we slightly extend the horizon to the ubiquitous semi-supervised setting, such a fundamental limitation will disappear completely. We prove that with arbitrary fraction of the labels revealed, the detection problem is feasible throughout the parameter domain. Moreover, we introduce two efficient algorithms, one combinatorial and one based on optimization, to integrate label information with graph structures. Our work brings a new perspective to stochastic model of networks and semidefinite program research.  ( 2 min )

This paper is a tutorial for eigenvalue and generalized eigenvalue problems. We first introduce eigenvalue problem, eigen-decomposition (spectral decomposition), and generalized eigenvalue problem. Then, we mention the optimization problems which yield to the eigenvalue and generalized eigenvalue problems. We also provide examples from machine learning, including principal component analysis, kernel supervised principal component analysis, and Fisher discriminant analysis, which result in eigenvalue and generalized eigenvalue problems. Finally, we introduce the solutions to both eigenvalue and generalized eigenvalue problems.  ( 2 min )

We introduce a computational efficient data-driven framework suitable for quantifying the uncertainty in physical parameters and model formulation of computer models, represented by differential equations. We construct physics-informed priors, which are multi-output GP priors that encode the model's structure in the covariance function. We extend this into a fully Bayesian framework that quantifies the uncertainty of physical parameters and model predictions. Since physical models often are imperfect descriptions of the real process, we allow the model to deviate from the observed data by considering a discrepancy function. To obtain the posterior distributions, we use Hamiltonian Monte Carlo sampling. We demonstrate our approach in a simulation study with hemodynamical models, which are time-dependent differential equations. Data are simulated from a more complex model than our modelling choice, and the aim is to learn physical parameters according to known mathematical connections. To demonstrate the flexibility of our approach, an example using the Heat equation, a space-time dependent differential equation where we consider a case of a biased data-acquisition process is also included. Finally, we fit the hemodynamic model using real data obtained in a medical trial.  ( 2 min )

The objective in a traditional reinforcement learning (RL) problem is to find a policy that optimizes the expected value of a performance metric such as the infinite-horizon cumulative discounted or long-run average cost/reward. In practice, optimizing the expected value alone may not be satisfactory, in that it may be desirable to incorporate the notion of risk into the optimization problem formulation, either in the objective or as a constraint. Various risk measures have been proposed in the literature, e.g., exponential utility, variance, percentile performance, chance constraints, value at risk (quantile), conditional value-at-risk, prospect theory and its later enhancement, cumulative prospect theory. In this book, we consider risk-sensitive RL in two settings: one where the goal is to find a policy that optimizes the usual expected value objective while ensuring that a risk constraint is satisfied, and the other where the risk measure is the objective. We survey some of the recent work in this area specifically where policy gradient search is the solution approach. In the first risk-sensitive RL setting, we cover popular risk measures based on variance, conditional value-at-risk, and chance constraints, and present a template for policy gradient-based risk-sensitive RL algorithms using a Lagrangian formulation. For the setting where risk is incorporated directly into the objective function, we consider an exponential utility formulation, cumulative prospect theory, and coherent risk measures. This non-exhaustive survey aims to give a flavor of the challenges involved in solving risk-sensitive RL problems using policy gradient methods, as well as outlining some potential future research directions.  ( 2 min )

We consider the top-k arm identification problem for multi-armed bandits with rewards belonging to a one-parameter canonical exponential family. The objective is to select the set of k arms with the highest mean rewards by sequential allocation of sampling efforts. We propose a unified optimal allocation problem that identifies the complexity measures of this problem under the fixed-confidence, fixed-budget settings, and the posterior convergence rate from the Bayesian perspective. We provide the first characterization of its optimality. We provide the first provably optimal algorithm in the fixed-confidence setting for k>1. We also propose an efficient heuristic algorithm for the top-k arm identification problem. Extensive numerical experiments demonstrate superior performance compare to existing methods in all three settings.  ( 2 min )

In spatial statistics, a common objective is to predict values of a spatial process at unobserved locations by exploiting spatial dependence. Kriging provides the best linear unbiased predictor using covariance functions and is often associated with Gaussian processes. However, when considering non-linear prediction for non-Gaussian and categorical data, the Kriging prediction is no longer optimal, and the associated variance is often overly optimistic. Although deep neural networks (DNNs) are widely used for general classification and prediction, they have not been studied thoroughly for data with spatial dependence. In this work, we propose a novel DNN structure for spatial prediction, where the spatial dependence is captured by adding an embedding layer of spatial coordinates with basis functions. We show in theory and simulation studies that the proposed DeepKriging method has a direct link to Kriging in the Gaussian case, and it has multiple advantages over Kriging for non-Gaussian and non-stationary data, i.e., it provides non-linear predictions and thus has smaller approximation errors, it does not require operations on covariance matrices and thus is scalable for large datasets, and with sufficiently many hidden neurons, it provides the optimal prediction in terms of model capacity. We further explore the possibility of quantifying prediction uncertainties based on density prediction without assuming any data distribution. Finally, we apply the method to predicting PM2.5 concentrations across the continental United States.  ( 2 min )

Quantum machine learning is a rapidly evolving area that could facilitate important applications for quantum computing and significantly impact data science. In our work, we argue that a single Kerr mode might provide some extra quantum enhancements when using quantum kernel methods based on various reasons from complexity theory and physics. Furthermore, we establish an experimental protocol, which we call \emph{quantum Kerr learning} based on circuit QED. A detailed study using the kernel method, neural tangent kernel theory, first-order perturbation theory of the Kerr non-linearity, and non-perturbative numerical simulations, shows quantum enhancements could happen in terms of the convergence time and the generalization error, while explicit protocols are also constructed for higher-dimensional input data.  ( 2 min )

We propose Byzantine-robust federated learning protocols with nearly optimal statistical rates. In contrast to prior work, our proposed protocols improve the dimension dependence and achieve a tight statistical rate in terms of all the parameters for strongly convex losses. We benchmark against competing protocols and show the empirical superiority of the proposed protocols. Finally, we remark that our protocols with bucketing can be naturally combined with privacy-guaranteeing procedures to introduce security against a semi-honest server. The code for evaluation is provided in https://github.com/wanglun1996/secure-robust-federated-learning.  ( 2 min )

Class imbalances pervade classification problems, yet their treatment differs in theory and practice. On the one hand, learning theory instructs us that \emph{more data is better}, as sample size relates inversely to the average test error over the entire data distribution. On the other hand, practitioners have long developed a plethora of tricks to improve the performance of learning machines over imbalanced data. These include data reweighting and subsampling, synthetic construction of additional samples from minority classes, ensembling expensive one-versus all architectures, and tweaking classification losses and thresholds. All of these are efforts to minimize the worst-class error, which is often associated to the minority group in the training data, and finds additional motivation in the robustness, fairness, and out-of-distribution literatures. Here we take on the challenge of developing learning theory able to describe the worst-class error of classifiers over linearly-separable data when fitted either on (i) the full training set, or (ii) a subset where the majority class is subsampled to match in size the minority class. We borrow tools from extreme value theory to show that, under distributions with certain tail properties, \emph{throwing away most data from the majority class leads to better worst-class error}.  ( 2 min )

This work presents strategies to learn an Energy-Based Model (EBM) according to the desired length of its MCMC sampling trajectories. MCMC trajectories of different lengths correspond to models with different purposes. Our experiments cover three different trajectory magnitudes and learning outcomes: 1) shortrun sampling for image generation; 2) midrun sampling for classifier-agnostic adversarial defense; and 3) longrun sampling for principled modeling of image probability densities. To achieve these outcomes, we introduce three novel methods of MCMC initialization for negative samples used in Maximum Likelihood (ML) learning. With standard network architectures and an unaltered ML objective, our MCMC initialization methods alone enable significant performance gains across the three applications that we investigate. Our results include state-of-the-art FID scores for unnormalized image densities on the CIFAR-10 and ImageNet datasets; state-of-the-art adversarial defense on CIFAR-10 among purification methods and the first EBM defense on ImageNet; and scalable techniques for learning valid probability densities. Code for this project can be found at https://github.com/point0bar1/ebm-life-cycle.  ( 2 min )

The ability of likelihood-based probabilistic models to generalize to unseen data is central to many machine learning applications such as lossless compression. In this work, we study the generalizations of a popular class of probabilistic models - the Variational Auto-Encoder (VAE). We point out the two generalization gaps that can affect the generalization ability of VAEs and show that the over-fitting phenomenon is usually dominated by the amortized inference network. Based on this observation we propose a new training objective, inspired by the classic wake-sleep algorithm, to improve the generalizations properties of amortized inference. We also demonstrate how it can improve generalization performance in the context of image modeling and lossless compression.  ( 2 min )

Complex diseases are caused by a multitude of factors that may differ between patients. As a result, hypothesis tests comparing all patients to all healthy controls can detect many significant variables with inconsequential effect sizes. A few highly predictive root causes may nevertheless generate disease within each patient. In this paper, we define patient-specific root causes as variables subject to exogenous "shocks" which go on to perturb an otherwise healthy system and induce disease. In other words, the variables are associated with the exogenous errors of a structural equation model (SEM), and these errors predict a downstream diagnostic label. We quantify predictivity using sample-specific Shapley values. This derivation allows us to develop a fast algorithm called Root Causal Inference for identifying patient-specific root causes by extracting the error terms of a linear SEM and then computing the Shapley value associated with each error. Experiments highlight considerable improvements in accuracy because the method uncovers root causes that may have large effect sizes at the individual level but clinically insignificant effect sizes at the group level. An R implementation is available at github.com/ericstrobl/RCI.  ( 2 min )

The binomial deviance and the SVM hinge loss functions are two of the most widely used loss functions in machine learning. While there are many similarities between them, they also have their own strengths when dealing with different types of data. In this work, we introduce a new exponential family based on a convex relaxation of the hinge loss function using softness and class-separation parameters. This new family, denoted Soft-SVM, allows us to prescribe a generalized linear model that effectively bridges between logistic regression and SVM classification. This new model is interpretable and avoids data separability issues, attaining good fitting and predictive performance by automatically adjusting for data label separability via the softness parameter. These results are confirmed empirically through simulations and case studies as we compare regularized logistic, SVM, and Soft-SVM regressions and conclude that the proposed model performs well in terms of both classification and prediction errors.  ( 2 min )

Node clustering is a powerful tool in the analysis of networks. We introduce a graph neural network framework to obtain node embeddings for directed networks in a self-supervised manner, including a novel probabilistic imbalance loss, which can be used for network clustering. Here, we propose directed flow imbalance measures, which are tightly related to directionality, to reveal clusters in the network even when there is no density difference between clusters. In contrast to standard approaches in the literature, in this paper, directionality is not treated as a nuisance, but rather contains the main signal. DIGRAC optimizes directed flow imbalance for clustering without requiring label supervision, unlike existing graph neural network methods, and can naturally incorporate node features, unlike existing spectral methods. Extensive experimental results on synthetic data, in the form of directed stochastic block models, and real-world data at different scales, demonstrate that our method, based on flow imbalance, attains state-of-the-art results on directed graph clustering when compared against 10 state-of-the-art methods from the literature, for a wide range of noise and sparsity levels, graph structures and topologies, and even outperforms supervised methods.  ( 2 min )

Driven by several successful applications such as in stochastic gradient descent or in Bayesian computation, control variates have become a major tool for Monte Carlo integration. However, standard methods do not allow the distribution of the particles to evolve during the algorithm, as is the case in sequential simulation methods. Within the standard adaptive importance sampling framework, a simple weighted least squares approach is proposed to improve the procedure with control variates. The procedure takes the form of a quadrature rule with adapted quadrature weights to reflect the information brought in by the control variates. The quadrature points and weights do not depend on the integrand, a computational advantage in case of multiple integrands. Moreover, the target density needs to be known only up to a multiplicative constant. Our main result is a non-asymptotic bound on the probabilistic error of the procedure. The bound proves that for improving the estimate's accuracy, the benefits from adaptive importance sampling and control variates can be combined. The good behavior of the method is illustrated empirically on synthetic examples and real-world data for Bayesian linear regression.  ( 2 min )

Multi-output regression seeks to borrow strength and leverage commonalities across different but related outputs in order to enhance learning and prediction accuracy. A fundamental assumption is that the output/group membership labels for all observations are known. This assumption is often violated in real applications. For instance, in healthcare datasets, sensitive attributes such as ethnicity are often missing or unreported. To this end, we introduce a weakly-supervised multi-output model based on dependent Gaussian processes. Our approach is able to leverage data without complete group labels or possibly only prior belief on group memberships to enhance accuracy across all outputs. Through intensive simulations and case studies on an Insulin, Testosterone and Bodyfat dataset, we show that our model excels in multi-output settings with missing labels, while being competitive in traditional fully labeled settings. We end by highlighting the possible use of our approach in fair inference and sequential decision-making.  ( 2 min )

We propose a framework for the configuration and operation of expensive-to-evaluate advanced manufacturing methods, based on Bayesian optimization. The framework unifies a tailored acquisition function, a parallel acquisition procedure, and the integration of process information providing context to the optimization procedure. The novel acquisition function is demonstrated and analyzed on benchmark illustrative problems. We apply the optimization approach to atmospheric plasma spraying in simulation and experiments. Our results demonstrate that the proposed framework can efficiently find input parameters that produce the desired outcome and minimize the process cost.  ( 2 min )

Most machine learning methods depend on the tuning of hyper-parameters. For kernel ridge regression (KRR) with the Gaussian kernel, the hyper-parameter is the bandwidth. The bandwidth specifies the length-scale of the kernel and has to be carefully selected in order to obtain a model with good generalization. The default method for bandwidth selection is cross-validation, which often yields good results, albeit at high computational costs. Furthermore, the estimates provided by cross-validation tend to have very high variance, especially when training data are scarce. Inspired by Jacobian regularization, we formulate how the derivatives of the functions inferred by KRR with the Gaussian kernel depend on the kernel bandwidth. We then use this expression to propose a closed-form, computationally feather-light, bandwidth selection method based on controlling the Jacobian. In addition, the Jacobian expression illuminates how the bandwidth selection is a trade-off between the smoothness of the inferred function, and the conditioning of the training data kernel matrix. We show on real and synthetic data that compared to cross-validation, our method is considerably more stable in terms of bandwidth selection, and, for small data sets, provides better predictions.  ( 2 min )

Probabilistic Graphical Models (PGMs) are generative models of complex systems. They rely on conditional independence assumptions between variables to learn sparse representations which can be visualized in a form of a graph. Such models are used for domain exploration and structure discovery in poorly understood domains. This work introduces a novel technique to perform sparse graph recovery by optimizing deep unrolled networks. Assuming that the input data $X\in\mathbb{R}^{M\times D}$ comes from an underlying multivariate Gaussian distribution, we apply a deep model on $X$ that outputs the precision matrix $\Theta$, which can also be interpreted as the adjacency matrix. Our model, uGLAD, builds upon and extends the state-of-the-art model GLAD to the unsupervised setting. The key benefits of our model are (1) uGLAD automatically optimizes sparsity-related regularization parameters leading to better performance than existing algorithms. (2) We introduce multi-task learning based `consensus' strategy for robust handling of missing data in an unsupervised setting. We evaluate model results on synthetic Gaussian data, non-Gaussian data generated from Gene Regulatory Networks, and present a case study in anaerobic digestion.  ( 2 min )

We develop an optimization algorithm suitable for Bayesian learning in complex models. Our approach relies on natural gradient updates within a general black-box framework for efficient training with limited model-specific derivations. It applies within the class of exponential-family variational posterior distributions, for which we extensively discuss the Gaussian case for which the updates have a rather simple form. Our Quasi Black-box Variational Inference (QBVI) framework is readily applicable to a wide class of Bayesian inference problems and is of simple implementation as the updates of the variational posterior do not involve gradients with respect to the model parameters, nor the prescription of the Fisher information matrix. We develop QBVI under different hypotheses for the posterior covariance matrix, discuss details about its robust and feasible implementation, and provide a number of real-world applications to demonstrate its effectiveness.  ( 2 min )

Hey guys im a designer wanting to dip my toes into machine learning/Ai. 1- Is a mATX motherboard with 1x pciex16 and 1x pciex4 good enough for dual 3090? 2- do I absolutely need to use nvlink between these 3090s? what are the pros and cons? submitted by /u/Aeonbreak [link] [comments]  ( 1 min )

Hey All. I hope you're well. TL;DR I'm trying to compare the costs of building vs using existing technology For those of you who have experience building speech or signal processing ML / AI? I'm looking into building a SaaS feature that require speech to text. As an MVP, we've been using Google's speech to text API which is great - with a few problems - it's cost, and accuracy. While its accuracy is quite high, its cost, if I'm calculating correctly, relatively to our pricing, would be quite high. There are also benefits in terms of building accurate models for the specific industry we'd be using it. Does anyone have any examples of what it would take to build and operate something like that (costs / number of engineers) and more importantly operating (let's say - cost per minute to in computing power / storage) submitted by /u/Mobile_Jacket_894 [link] [comments]  ( 2 min )

I have an advanced degree in math, and am familiar with Python (from my college days). When I try tutorials for Sagemaker or Colab, it feels like I make progress, but spend 90% of my time trying to research why something is broken or not working. So, my question - is this the nature of this industry and software platforms at the moment? Are there any other tools/platforms that don't require constant troubleshooting for beginners? Thanks! submitted by /u/evergrowbro [link] [comments]  ( 1 min )

I hope the title at least kinda makes sense? More details below. ​ The way I understand denoising diffusion models on a high level is we simulate the forward process with a known distribution like gaussian noise and then learn the reverse process. I am wondering if it is reasonable to try training a diffusion model when we have a dataset from which we can sample any step of the forward process, but the actual forward process itself is unknown. Basically we have a training target for each "latent" in the diffusion process. ​ For the sake of simplicity we can think of our dataset as "images" and we can sample any image from the forward process. E.g we can sample the lowest quality images which are just random noise, medium quality images which contain the information we are interested in but obscured by noise or missing signal, or we can sample the highest quality images which is the final target of the model. We want a model which can map low/medium quality data to denoised high quality data; basically we are doing a super-resolution or image denoising task. We can generate any level of lower quality data we want, but the actual pixel-level difference between steps in the forward process is much more complex than just additive gaussian noise. ​ I already know it is *technically* feasible to train a diffusion model on this dataset since I am already testing it with varying levels of success. More what I am asking is if this makes any theoretical sense and where this might fit in with current literature on these models. Is it sufficient to just train an image-to-image model like a Unet to map each sample to the next in the markov chain since it might not be possible to evaluate KL divergence wrt the forward process? Or is there some way to approximate this as well? How is this any different from just training a stacked denoising autoencoder? ​ Thanks for any insight and/or discussion! submitted by /u/dimsycamore [link] [comments]  ( 2 min )

Currently, freelancing in AI is still a niche and has a cold start problem no matter if you are freelancing yourself or being on a platform such as upwork, fivrr, etc. ​ Join the community and lets explore the alternative career path. https://www.reddit.com/r/ai_freelancing/ submitted by /u/meame2010 [link] [comments]  ( 1 min )

I saw a graph comparing GPT-3, UnifiedQA and Gopher to Human Expert in level of accuracy on various fields. https://piped.kavin.rocks/watch?v=aPiHhJjN3hI&t=3m55s I was curious to know how does GPT-NeoX compare. And how do average humans perform? submitted by /u/ConsistentSense4760 [link] [comments]  ( 1 min )

https://imagen.research.google/ submitted by /u/margilly_ai [link] [comments]  ( 1 min )

I'm curious to hear peoples' perspectives on this. As I understand it, the easiest and one of the most popular ways of "handling" missing data is to just throw away incomplete observations. Would spending time developing methods that can learn from incomplete observations still be useful? Or would you argue that, because there are so many settings in which data is so plentiful, it's perfectly fine at this point to just throw away incomplete observations? submitted by /u/vandelay_inds [link] [comments]  ( 1 min )

I am trying to recreate the surfaces from this paper "Interpreting Adversarial Robustness: A View from Decision Surface in Input Space" https://arxiv.org/abs/1810.00144 They briefly mention the reasoning for using input space instead of parameter space in section 2.2 but don't describe how they produce such surfaces in detail. I understand the conventional approach (http://arxiv.org/abs/1712.09913) of projecting into a 2D hyperplane with 2 random (normalized) vectors in parameter space, but struggle to think of a way to do this with input images (e.g. CIFAR10 dataset). I have also failed to find any implementations of this approach. Any advice? submitted by /u/sarfins [link] [comments]  ( 1 min )

Hello everyone, We are pleased to introduce BlindAI to the AI community. BlindAI is an AI deployment solution, leveraging secure enclaves, to make remotely hosted AI models privacy friendly. Please have a look at our GitHub (https://github.com/mithril-security/blindai) to find out more! Motivation Today, most AI tools offer no privacy by design mechanisms, so when data is sent to be analysed by third parties, the data is exposed to malicious usage or potential leakage. We illustrate it below with the use of AI for voice assistants. Audio recordings are often sent to the Cloud to be analysed, leaving conversations exposed to leaks and uncontrolled usage without users’ knowledge or consent. ​ Before and after BlindAI By using BlindAI, data remains always protected as it is only decrypted inside a Trusted Execution Environment, called an enclave, whose contents are protected by hardware. While data is in clear inside the enclave, it is inaccessible to the outside thanks to isolation and memory encryption. This way, data can be processed, enriched, and analysed by AI, without exposing it to external parties. What you can do We have been able to run several state of the art models with privacy guarantees, enabling us to tackle complex scenarios, from privacy-friendly voice assistant with Wav2vec2, to confidential chest X-Ray analysis with ResNet, through document analysis with BERT. All of these models have been tested and can run with end-to-end protection under a second on an Intel(R) Xeon(R) Platinum 8370C. Model name Example use case Inference time (ms) DistilBERT Sentiment analysis 28.435 Wav2vec2 Speech to text 617.04 Facenet Facial recognition 47.135 A more detailed list of models we can deploy with privacy, with their run time, can be found here. If you like it drop a ⭐on our GitHub (https://github.com/mithril-security/blindai)! submitted by /u/Separate-Still3770 [link] [comments]  ( 1 min )

Hi! As part of my research I’m using Gaussian Process (regression) but want to understand GPS more fully. Does anyone have any book recommendations that explain them well, either whole books on them or part of wider machine learning textbooks. Thanks submitted by /u/Ikeyt [link] [comments]  ( 1 min )

I have stumbled across the relevant literature on neural networks for sets, e.g Deep Sets, PointerNet, and subsequent works. These architectures look similar to attention mechanisms and related models (e.g. Transformers), but they are treated as a very separated thing in the literature (e.g. in the Deep Sets paper the word "attention" never appears). So, I wonder, what is the main conceptual difference between Deep Sets and attention? I'm not very experienced with attention mechanisms, so I might be missing something in the big picture here. submitted by /u/fedetask [link] [comments]  ( 1 min )

Recent advances in Vision and NLP are dominating the AI community at the moment. I have been trying to find out if something exciting has been done for time series forecasting recently (last five years or so). Looking for some good starting points to keep up with the latest research. Any pointers would be highly appreciated. submitted by /u/ndalal01 [link] [comments]  ( 1 min )

I am working on a project involving one shot learning for time series data from dynamical systems. Which would be some of the better ML models, I should look at for this purpose? submitted by /u/_hereforthecomments [link] [comments]  ( 1 min )

Hey guys, I was working with time series dataset for dynamical systems. I need to quantify how similar the datasets from two different dynamical systems are. So what would be the optimal parameter to do so? submitted by /u/_hereforthecomments [link] [comments]  ( 1 min )

Hello guys, When I was finding for papers in the conference, object detection, I was surprised at the fact that there were above of 2000 papers. I usually read papers through a section of abstract, but this time can I only just open the papers to check out that my interest topics is there? Plz let me know. If I have to do that, I will. Thx. :) submitted by /u/Mundane_Definition_8 [link] [comments]  ( 1 min )

TL;DR We made autoregressive transformer based models like T5-large 2X faster than 🤗 Hugging Face Pytorch with 3 simple tricks: storing 2 computation graphs in a single Onnx file 👯: this let us have both cache and no cache support without having any duplicated weights. When cache is used, attention switch from quadratic to linear complexity (less GPU computation) and Onnx Runtime brings us kernel fusion (less memory bound ops); zero copy 💥 to retrieve output from Onnx Runtime: we leverage Cupy API to access Onnx Runtime internal CUDA arrays and expose them through Dlpack to Pytorch. It may sound a bit complex, but it let us avoid output tensors copy which limit our memory footprint and make us much faster (check notebook for other benefits of this approach); a generic tool to conv…  ( 4 min )

I recently caught Andrew Ng's 2021 talk on MLOps (MLOps: From Model-centric to Data-centric AI). At 26:40, he talks about calculating the effectiveness of cleaning your data (training examples) vs. collecting new examples. Apparently this is possible to calculate using Shannon Information. As an example, Ng notes that "[if you have] 500 pictures of iguanas and if 12% of the labels are noisy (incorrectly labelled), then from a Shannon Information calculation, you can show that [cleaning up the noisy data and collecting another 500 new examples] are about equally effective.". Does anyone know how exactly this might be calculated? I've tried to find more information on this but without much luck. Intuitively, it seems related to Shannon's Limit but the exact application is unclear to me. Thanks. Edit: Cross-posted to Cross Validated submitted by /u/Academy- [link] [comments]  ( 3 min )

The Internet has a lot of information concerning the environmental effects of training an ML model with GPUs. But less is available in terms of the emissions generated by running a trained model on a GPU. For example, Google has a language model called BERT. If I was to deploy it on a web server powered by a GPU, would the emissions be close to nil or would it actually harm the environment? submitted by /u/Alternative-Pause-14 [link] [comments]  ( 1 min )

I have read multiple papers and they never attach their source code like here https://www.science.org/doi/10.1126/scirobotics.abc6878 My problem is I have no idea how to apply ANN for decoupling different measured signals. I think I am not really capable to digest what these papers did, I would appreciate if someone can help me in understanding how to implement these algorithms from scratch. ​ Thanks submitted by /u/meldiwin [link] [comments]  ( 1 min )

It is hard, looking at the current technological landscape, to believe that artificial intelligence may actually be facing a reckoning that could cause investment in the field to dry up. If you go by the press releases and even the many products that supposedly incorporate artificial-intelligence-oriented products, it would seem that computers capable of thinking… Read More »DSC Weekly 24 May 2022: Is an AI Autumn Around the Corner? The post DSC Weekly 24 May 2022: Is an AI Autumn Around the Corner? appeared first on Data Science Central.  ( 6 min )

Data science refers to the use of algorithms, systems, technology, etc. to glean insights from data of all kinds. And, Machine learning (ML) and artificial intelligence (AI) make it possible for the shoppers with predictions based on what they like even before they decide to look for a specific product offering. Data science has been… Read More »Top Ways in Which Data Science Improves E-Commerce Sales The post Top Ways in Which Data Science Improves E-Commerce Sales appeared first on Data Science Central.  ( 3 min )

The expression “Gig Economy” alludes to an unrestricted economy framework where project work, term agreements, and brief positions are pervasive. The associations will enlist autonomous consultants or experts for momentary responsibilities. The expression “gig” is a shoptalk word for a task that endures a predefined period that was first made well known by artists or… Read More »Why is the Gig Economy a New Future? The post Why is the Gig Economy a New Future? appeared first on Data Science Central.  ( 4 min )

After 25 Years of Coding in C And Perl. As an independent author/researcher, there is of course nothing in my “job description” that says I should code in Python (or any other language). Yet for a long time, I thought coding in Python would help me a lot. It would mean more readers, and thus… Read More »Lessons Learned from Writing My First Python Script The post Lessons Learned from Writing My First Python Script appeared first on Data Science Central.  ( 6 min )

This project for me was personal. I experienced the propaganda machine of the Soviet Union and am horrified to see it used on Americans. As a young adult in Soviet Russia, I succumbed to brainwashing and had no idea what was really going on. “Everybody always lies” had been the norm. I came to the… Read More »Russian Troll Detection By Their Tweets The post Russian Troll Detection By Their Tweets appeared first on Data Science Central.  ( 4 min )

“Courage is not the absence of fear, but rather the judgment that something else is more important than fear.  The brave may not live forever, but the cautious do not live at all”– Philippe Renaldi, The Princess Diaries (2001) Optimizing versus innovating…the simple difference between surviving versus thriving. Yes, it is always easier to apply… Read More »Importance of Fearlessness to Exploit the Potential of AI The post Importance of Fearlessness to Exploit the Potential of AI appeared first on Data Science Central.  ( 7 min )

Hi everyone! Been reading a lot about RL and was wondering what the current SOTA models are for online RL.I have noticed that more and more models are starting to use transformers. Is this also where SOTA online RL models are going? Any ideas / oppinions about what the future direction of this field is would also be highly appreciated. Cheers submitted by /u/Idonai [link] [comments]  ( 1 min )

In the simple spread env, only position is tracked (https://github.com/openai/multiagent-particle-envs/blob/47e9ee38e605f8a563370b3c7e52a349eca3f6b1/multiagent/scenarios/simple_spread.py#L40) submitted by /u/No_Possibility_7588 [link] [comments]  ( 1 min )

I am completely new to RL, I am experienced with NN. I decided to do my thesis on RL to take it as learning opportunity but Im beginning to find it quite intimidating to create a sim environment and apply RL given Im inexperieced with RL and have little time provided for thesis. Alternatively, I am suggested games which is also fun to work and to learn but Im struggling to comeup with a thesis statement such that I can use for publication as well. Some games I have considered are Go, Bomberland(Bomberman knock off from coderone), Kore (https://www.kaggle.com/competitions/kore-2022). I am also open to otherwise suggestions. submitted by /u/npc1111 [link] [comments]  ( 1 min )

In the continuous action tasks where a slight exploration can impact the environment drastically (like aerial robots), what exploration strategy can be used to safely explore the action space. I am currently using DDPG algorithm for position tracking in drones. I use Gaussian noise for exploration. The rewards for this tracking task are sparse as large negative rewards can make training unstable. So what can I use as the exploration strategy in this scenario. submitted by /u/Better-Ad8608 [link] [comments]  ( 1 min )

I'm interested in implementing DQN for a dungeon crawler I play. You are given a 2d map with your position as the central point and you need to traverse to the next zone, the map is limited in scope and is slowly revealed as you move along. There is a map based marker for the entrance to the next zone. ​ Since it is a dungeon of random size and random end/start positions, with no method to generate a reward until the agent gets to the next zone (ie the max overall reward is 1) is it possible for the agent to learn a policy in this scenario? submitted by /u/IFartedAndMyDickHurt [link] [comments]  ( 2 min )

In one computer, use ppo on swimmer. with 16 threads, the agent trains crash after 1 hour. with less than 16 threads, the agent trains smoothly and well https://preview.redd.it/fivxnkg11c191.png?width=727&format=png&auto=webp&s=4047c1b516d514619f0b73e38efc38d04bab5135 submitted by /u/OkSkirt5714 [link] [comments]  ( 1 min )

In today’s episode of Future Tech. I ask the question, what is real? Because in this world of social constructs, everything is created by… Continue reading on Becoming Human: Artificial Intelligence Magazine »  ( 7 min )

The world of e-commerce is undeniably among the most lucrative sectors in the world at the moment and is expected to remain so for the…  ( 2 min )

submitted by /u/KelliaMcclure [link] [comments]  ( 1 min )

submitted by /u/UBIAI [link] [comments]

Hey guys! I'm a student and I'm currently working on my dissertation for University. I'm using this as a way of collecting data on the representation of AI in movies and pop culture and I'd appreciate the responses! Here's the link: https://forms.gle/1jrzrfuSd3rFD6A17 submitted by /u/ZakUllah [link] [comments]

submitted by /u/DavidKShapiro [link] [comments]  ( 1 min )

submitted by /u/Due-Ad9795 [link] [comments]

submitted by /u/cookingandcraft [link] [comments]

submitted by /u/maneesh123456 [link] [comments]

submitted by /u/akolonin [link] [comments]  ( 1 min )

submitted by /u/BeginningRealistic49 [link] [comments]

submitted by /u/OnlyProggingForFun [link] [comments]  ( 1 min )

I’m currently doing a math and cs bachelors. I want to move into AI research (Something that is applicable currently but also contributes to the AGI field ideally) in the near future. Which site/resources should I use to learn relevant knowledge? Are there better ones? submitted by /u/BackgroundSense351 [link] [comments]  ( 1 min )

Posted by Zirui Wang and Jiahui Yu, Research Scientists, Google Research, Brain Team Oftentimes, machine learning (ML) model developers begin their design using a generic backbone model that is trained at scale and with capabilities transferable to a wide range of downstream tasks. In natural language processing, a number of popular backbone models, including BERT, T5, GPT-3 (sometimes also referred to as “foundation models”), are pre-trained on web-scale data and have demonstrated generic multi-tasking capabilities through zero-shot, few-shot or transfer learning. Compared with training over-specialized individual models, pre-training backbone models for a large number of downstream tasks can amortize the training costs, allowing one to overcome resource limitations when building large s…  ( 7 min )

Codex is now powering 70 different applications across a variety of use cases through the OpenAI API.  ( 3 min )

submitted by /u/AxelTheRabbit [link] [comments]

I am currently working on a CNN model where my inputs are CSV's with 1080 rows and 4 attributes(collumns). I have all the CSVs under their own categories directory, for example /Category A/..., /Category B/... etc. At start I have created two arrays: X = [] Y = [] and then in a for loop going thru all the directories I read the contents of the CSV in a `1080x4` shape and put it in my X array like this: (I have confirmed the values are correctly read and in correct shape) X.append(pandas.read_csv(itemPath).values) and I add the category of the item in my Y array right after, so the order of `X` items are alligned with order of `Y` items (categories of X values). Y.append(cat) Then here is my model, albeit I got it mostly from a Kaggle example, I just wanted to see if it works …  ( 4 min )

Digital twins that revolutionize the way the most complex products are produced. Silicon and software that transforms data centers into AI factories. Gaming advances that bring the world’s most popular games to life. Taiwan has become the engine that brings the latest innovations to the world. So it only makes sense that NVIDIA leaders brought Read article > The post NVIDIA Brings Data Center, Robotics, Gaming, Content Creation Innovations to COMPUTEX appeared first on NVIDIA Blog.  ( 7 min )

In the worldwide effort to halt climate change, Zac Smith is part of a growing movement to build data centers that deliver both high performance and energy efficiency. He’s head of edge infrastructure at Equinix, a global service provider that manages more than 240 data centers and is committed to becoming the first in its Read article > The post NVIDIA Adds Liquid-Cooled GPUs for Sustainable, Efficient Computing appeared first on NVIDIA Blog.  ( 4 min )

More than 30 leading technology partners worldwide announced this week the first wave of NVIDIA Jetson AGX Orin-powered production systems at COMPUTEX in Taipei. New products are coming from a dozen Taiwan-based camera, sensor and hardware providers for use in edge AI, AIoT, robotics and embedded applications. Available worldwide since GTC in March, the NVIDIA Read article > The post NVIDIA Partners Announce Wave of New Jetson AGX Orin Servers and Appliances at COMPUTEX appeared first on NVIDIA Blog.  ( 3 min )

The future of content creation was on full display during the virtual NVIDIA keynote at COMPUTEX 2022, as the NVIDIA Studio platform expands with new Studio laptops and RTX-powered AI apps — all backed by the May Studio Driver released today. The post Master of Arts: NVIDIA RTX GPUs Accelerate Creative Ecosystems, Delivering Unmatched AI and Ray-Tracing Performance appeared first on NVIDIA Blog.  ( 6 min )

Delegation meets campus leaders, with an eye toward AI applications and the Icelandic language.  ( 6 min )

We are just smart enough to deal with problems logically, but too stupid to understand certain information hazards. Our "just good enough" understanding could be used where AI can't go submitted by /u/burner557799 [link] [comments]

submitted by /u/Scared_Assistance_28 [link] [comments]

submitted by /u/SlightSituation [link] [comments]  ( 1 min )

submitted by /u/punkthesystem [link] [comments]  ( 1 min )

submitted by /u/SpatialComputing [link] [comments]  ( 1 min )

In recent years, a significant part of neuroscience research has focused on relating deep learning architectures to the human brain, and many deep learning (DL) techniques have recently been shown to replicate neural firing patterns observed in the brain. For example, representations of convolutional neural networks have been shown to predict neurons in the visual cortex and inferior temporal cortex, while recurrent neural networks have been shown to recapitulate grid cells in the medial entorhinal cortex. The ability to use machine learning models to predict brain representations allows for a deeper understanding of the mechanistic computations of the respective brain areas and a deeper understanding of the nature of the models. However, one of the most exciting and promising new architec…  ( 2 min )

submitted by /u/nenomancer [link] [comments]  ( 1 min )

I'm working with material that was originally mastered in 29.97fps, then converted to 25fps for PAL territories. The PAL source is the best looking copy, in terms of detail, fewer digital artifacts, resolution, and colour - but it's obviously missing frames. Rather than just using AI to create new frames, is there a tool that will allow me to introduce multiple sources so the AI knows what those missing frames should best look like? submitted by /u/Plebsolute [link] [comments]  ( 1 min )

Hello, I plan on giving a TEDx talk on AI because I love AI and I have spent a lot of time learning AI, Machine Learning, and Deep Learning (with all the math). I thought of talking about interesting AI that currently exist but there is many so I can't decide. I would love to hear your guys' ideas on what is your favourite and the most interesting AI you have seen which I could talk about. All responses are appreciated Thanks submitted by /u/No-Conversation8169 [link] [comments]  ( 1 min )

submitted by /u/qptbook [link] [comments]

submitted by /u/bendee983 [link] [comments]

The StatQuest Illustrated Guide To Machine Learning submitted by /u/Futureisnotsecure [link] [comments]

Image generation necessitates the ability to capture and model complicated statistics in real-world visual events. When trained on large-scale data, computer vision models have shown adept at capturing valuable representations, thanks to the effectiveness of supervised and self-supervised learning techniques. Surprisingly, despite the aforementioned link between synthesis and analysis, state-of-the-art generative adversarial networks (GANs) are trained without the use of such pre-trained networks in an unsupervised way. This is a squandered opportunity to investigate, given the abundance of relevant models readily available in the research ecosystem. Adobe researchers investigated the usage of a collection of pretrained deep feature extractors to aid in generative model training in a recent publication. GANs are specifically taught with a discriminator and a generator, which are both targeted at continuously learning the relevant statistics that distinguish genuinely and produced data. Continue Reading Paper: https://arxiv.org/pdf/2112.09130.pdf Github: https://github.com/nupurkmr9/vision-aided-gan Project: https://www.cs.cmu.edu/\~vision-aided-gan/ https://i.redd.it/y33lpsbpg6191.gif submitted by /u/No_Coffee_4638 [link] [comments]  ( 1 min )

submitted by /u/cookingandcraft [link] [comments]

Hi Guys, Free tutorial on Machine Learning Project (End to End) in Apache Spark and Scala with Code and Explanation Machine Learning Pipeline Application on Power Plant. Build Movies Recommendation Engine Sales Prediction or Sale Forecast Mushroom Classification whether it’s edible or poisonous Predict Forest Cover Predict Will it Rain Tomorrow in Australia Customer Segmentation using Machine Learning Predict Ads Click (93% Accuracy) Prediction task is to determine whether a person makes over 50K a year Classifying gender based on personal preferences Mobile Price Classification Predicting the Cellular Localization Sites of Proteins in Yest YouTube Spam Comment Prediction Identify the Type of animal (7 Types) based on the available attributes Glass Identification Predicting the age of abalone from physical measurements I hope you'll enjoy these tutorials. submitted by /u/bigdataengineer4life [link] [comments]  ( 1 min )

The late Terence McKenna, in one of his many talks, pointed out the two choices on the menu when it comes to why we are here. One is the Christian belief that God created the world in six days. The other one that a Big Bang happened some billions years ago and the universe sprang out of nothingness - as a random happening. His point was this: Both of these explanations are utterly improbable. Still if you hold the Christian belief, then you do not question it and hold it as "the truth". Likewise if you believe in the Big Bang explanation you hold that as truth. From other cultures we learn that the world actually resides on the back of a giant turtle. Sounds crazy right? .. except if you are brought up with that belief. Could the important thing be WHO YOU BECOME by believing a given…  ( 2 min )

Imagen - unprecedented photorealism × deep level of language understanding Imagen builds on the power of large transformer language models in understanding text and hinges on the strength of diffusion models in high-fidelity image generation. Human raters prefer Imagen over other models (such as DALL-E 2) in side-by-side comparisons, both in terms of sample quality and image-text alignment. https://gweb-research-imagen.appspot.com/ https://gweb-research-imagen.appspot.com/paper.pdf submitted by /u/aifordummies [link] [comments]  ( 1 min )

Now ECCV 2022 reviews are out, what is your general feeling about the quality of reviews? submitted by /u/margilly_ai [link] [comments]  ( 1 min )

Hello. Recently I've stumbled upon the following RL paper: https://arxiv.org/abs/2202.08938 , and it made me super curious. In their experiments, an agent acts in the setup of some simple video game, and they use textual descriptions of the environment as an additional information for this agent, to help it to perform a novelty search more efficiently, because textual descriptions express real novelty of a new environment more meaningfully than raw data. As they write: "we explore natural language as a general medium for highlighting relevant abstractions in an environment". After reading it, I started to be curious, whether there are any other papers, where Natural Language descriptions are used as an intermediate tool to help Machine Learning model to perform some not-NLP task? Maybe someone even tried to teach NLP model to generate the most useful hints for not-NLP model to solve not-NLP tasks? I would be grateful to learn any info about such research direction. Thanks! submitted by /u/KushnarevaL [link] [comments]  ( 1 min )

I have read that it is a common place to use a reduced learning rate when finetuning on a new dataset for transfer learning. On the other hand it seems to me not a good practice to do that and compare with the simple training that was performed with a larger training rate. submitted by /u/TheManveru [link] [comments]  ( 1 min )

I’m doing PCA for different sentence embeddings (word2vec, BERTtweet, InferSent…) of my data. My question is, should I scale these embeddings before putting them into PCA. I know it’s a standard practice in ML when using PCA, but idk if it still stands for sentence embeddings. Also if I should, will standard scaler be ok? submitted by /u/No_Technology1455 [link] [comments]  ( 1 min )

My knowledge about CNNs is relatively basic. I know what they do, but I have not enough experience to understand the different choices in architectures (besides the obvious improvements, like a residual block). For what I do I never needed to rely on CNNs, so whenever I worked with them I just used some existing CNN structures, but now I would like to learn more about it, so that I can optimize my current models. So for example looking at some CNNs used in reinforcement learning, here's one in particular (the CNN from the Atari self-learning Nature article): self.base = nn.Sequential( init_(nn.Conv2d(4, 32, kernel_size=8, stride=4, padding=0)), nn.ReLU(), init_(nn.Conv2d(32, 64, kernel_size=4, stride=2, padding=0)), nn.ReLU(), init_(nn.Conv2d(64, 32, kernel_size=3, stride=1, padding=0)), nn.ReLU(), Flatten(), init_(nn.Linear(32 * 7 * 7, outputs)), nn.ReLU() ) The input is a stack of 4 frames with 84x84 grayscale pixels. I understand that you'd want to divide this image into many different smaller fields, but what's the intuition of doing it in such a way, e.g. 3 layers of CNNs? Why not 5? Why not 2 or 1, but with more outputs? In fact, it seems to me that a parallel approach with different parameters, instead of a sequential approach would be superior, since it seems to me that information would get lost after the first layer that uses a kernel size of 8. Are there any resources that you could recommend and that delve deeply into the nuances when creating CNN architectures? Thank you submitted by /u/NikEy [link] [comments]  ( 7 min )

Greetings Folks, In the past year, we had released a book reading AI tool to search for content within files using natural search, and we had received constructive feedback from the machine learning community. We are releasing, a new updated version with a fresh UI overhaul (desktop support) https://rastero.io/books/explore This project utilizes the sentence transformers library from UKP labs found here. Glad to share it with you all. Here's an account to try it out! username: reddit password: reddit2022 A demo of the interface to search using semantic similarity based search . submitted by /u/deep_ak [link] [comments]  ( 1 min )

We have a new request from our product team : "Develop a human in the loop binary classifier for a fashion application. The classifier should learn the themes of photos and classify the future data with high degree of confidence. " The human in the loop will be an annotator (or) expert whom we can query to label the examples (of mini-batches). The number of queries is limited by confidence score and budget. Are there any tools/frameworks for building such (active learning) applications ? submitted by /u/UncertainLangur [link] [comments]  ( 1 min )

They should come out today, but I guess they are delayed. submitted by /u/SeucheAchat9115 [link] [comments]

Hi! I'd like to share this project I've been working on for almost 4 years: https://github.com/OpenNMT/CTranslate2 CTranslate2 is a C++ and Python library for efficient inference with Transformer models. While the project initially focused on translation models (hence the name), it also supports autoregressive language models such as GPT-2 and the recent OPT models from Meta. The library comes with a highly optimized runtime that implements various performance optimization techniques such as weight quantization, layer fusion, batch reordering, padding removal, etc. (Check out these benchmark tables for a comparison with other frameworks on a translation task.) We provide model converters for multiple frameworks: OpenNMT Fairseq Marian Hugging Face's Transformers You can also add you own converter if the model architecture is supported. We currently support selected variants of encoder-decoder and decoder-only Transformer models (including pre-norm and post-norm). If you'd like to learn more, please visit the GitHub repository and feel free to post questions or suggestions about the project! Thanks! submitted by /u/guillaumekln [link] [comments]  ( 1 min )

submitted by /u/EducationalCicada [link] [comments]

I'm one of the organizers of the ShiftHappens Workshop hosted at ICML 2022. The goal of the workshop is to create a community-built robustness benchmark, incorporating new challenging datasets and tasks. Submissions can be ImageNet-scale datasets or evaluation tasks that help finding potentially unforeseen behaviours of tested models. All accepted contributions will be part of the benchmark and authors can become co-authors of a summary paper. To make it easy to contribute, we now also accept submissions in the form of extended abstracts, where an interesting idea for a dataset or task is explained in a one-page paper format, see also our latest tweet! We welcome datasets and tasks published at previous conferences as well as novel and work-in-progress papers. So if you e.g. evaluated your training method on a new task highlighting its advantages, we would be happy to receive that task as a submission :) If you don't, share this with friends and colleagues that might ;) Also check out our strong line-up of invited speakers which you might not want to miss if you are at the ICML conference this year! I and some of the other organizers are around to answer any questions about submitting, data shift and the workshop in general. submitted by /u/JBitterwolf [link] [comments]  ( 1 min )

submitted by /u/DevFRus [link] [comments]  ( 1 min )

So I am working with a Unet (CNN) architecture with an Adam optimizer. Occasionally I have forced stopped the model, saved the weights, then resumed the training later on. When I resume, the loss plot seems to look less smooth compared to what it did earlier, but the loss also seems to have decreased significantly. Is it generally safe to stop and resume model training in this way? Also, I'm not sure how to interpret the decreased but less smooth loss function. submitted by /u/suoarski [link] [comments]  ( 2 min )

https://icml.cc/Conferences/2022/AcceptedPapersInitial On a quick ctrl-F : Tsinghua (157) overtakes Stanford (139). In 2021, these values were Tsinghua (71) and Stanford (140). http://web.archive.org/web/20210618094315/https://icml.cc/Conferences/2021/AcceptedPapersInitial ^ 2021 for comparison submitted by /u/Simping4Kaiming [link] [comments]

Hi! As a Machine Learning Engineer, I was studying the design patterns behind scikit-learn's API (you can see here and here) and I was wondering if any of you know of something similar but for R that I can check. Note: I am asking about R because that's what I am using and it is difficult to find something functional programming oriented for other languages, but any other library you find interesting is welcome! submitted by /u/Silver_Book_938 [link] [comments]  ( 2 min )

I know one way to calculate frequencies of English word phrases such as "it's raining today" is to simply search for that phrase in a large text corpus, but would anyone happen to know of any simpler/newer ways to do that? I'm wondering if it's somehow possible to calculate the frequencies of word phrases using a large language model such as GPT-3. submitted by /u/Specialist_Art_8502 [link] [comments]  ( 1 min )

submitted by /u/getrich_or_diemining [link] [comments]

submitted by /u/BasicallyJustASpider [link] [comments]  ( 1 min )

submitted by /u/Futureisnotsecure [link] [comments]  ( 1 min )

The latest episode of The History of English Podcast discusses the history of pronunciation changes in the Elizabethan period. The episode has a lot to say about the connections between voiced and unvoiced pairs of consonants, and the circumstances under which a consonant might change from voiced to unvoiced and vice versa. The major mnemonic […] Voiced and unvoiced consonants and digits first appeared on John D. Cook.  ( 2 min )

This post will be about psychology as much as math, looking at a number of algorithms for mentally calculating the same function. The most difficult part of mentally computing days of the week is computing ⌊5y/4⌋ % 7 where y is the last two digits of a year. This quantity is called the year share […] Year share first appeared on John D. Cook.  ( 3 min )

submitted by /u/n3ver_summer [link] [comments]  ( 1 min )

It appears Gym uses the old python integration "mujoco-py" rather than the new official one (https://mujoco.readthedocs.io/en/latest/python.html). Is it possible to use the gym environments with the new Python binding ? If not will Gym be updated to support the new official python binding ? submitted by /u/arckonte [link] [comments]  ( 1 min )

submitted by /u/MlTut [link] [comments]

submitted by /u/Professional_Card176 [link] [comments]  ( 1 min )

Nearly every forward-thinking organization uses analytics in recruitment to bring efficiency to its hiring process. A significant…  ( 3 min )

It’s a well-known challenge that large language models (LLMs)—growing in popularity thanks to their adaptability across a variety of applications—carry risks. Because they’re trained on large amounts of data from across the internet, they’re capable of generating inappropriate and harmful language based on similar language encountered during training.   Content moderation tools can be deployed to […] The post (De)ToxiGen: Leveraging large language models to build more robust hate speech detection tools appeared first on Microsoft Research.  ( 10 min )

Advances in platform models—large-scale models that can serve as foundations across applications—have significantly improved the ability of computers to process natural language. But natural language processing (NLP) models are still far from perfect, sometimes failing in embarrassing ways, like translating “Eu não recomendo este prato” (I don’t recommend this dish) in Portuguese to “I highly […] The post Partnering people with large language models to find and fix bugs in NLP systems appeared first on Microsoft Research.  ( 10 min )

Electric utilities are taking a course in machine learning to create smarter grids for tough challenges ahead. The winter 2021 megastorm in Texas left millions without power. Grid failures the past two summers sparked devastating wildfires amid California’s record drought. “Extreme weather events of 2021 highlighted the risks climate change is introducing, and the importance Read article > The post Energy Grids Plug into AI for a Brighter, Cleaner Future appeared first on NVIDIA Blog.  ( 5 min )

What is cloud computing? It is one of the foremost technological innovations of the 21st century and has seen the fastest adoption into mainstream use than any other technology. Simply put, it’s the ability to store and run software programs on the cloud platforms rather than storing and running them on local servers or computers.… Read More »Why Should the Retail Sector Move to Cloud Computing? The post Why Should the Retail Sector Move to Cloud Computing? appeared first on Data Science Central.  ( 4 min )

Despite intense efforts in basic and clinical research, an individualized ventilation strategy for critically ill patients remains a major challenge. Recently, dynamic treatment regime (DTR) with reinforcement learning (RL) on electronic health records (EHR) has attracted interest from both the healthcare industry and machine learning research community. However, most learned DTR policies might be biased due to the existence of confounders. Although some treatment actions non-survivors received may be helpful, if confounders cause the mortality, the training of RL models guided by long-term outcomes (e.g., 90-day mortality) would punish those treatment actions causing the learned DTR policies to be suboptimal. In this study, we develop a new deconfounding actor-critic network (DAC) to learn optimal DTR policies for patients. To alleviate confounding issues, we incorporate a patient resampling module and a confounding balance module into our actor-critic framework. To avoid punishing the effective treatment actions non-survivors received, we design a short-term reward to capture patients' immediate health state changes. Combining short-term with long-term rewards could further improve the model performance. Moreover, we introduce a policy adaptation method to successfully transfer the learned model to new-source small-scale datasets. The experimental results on one semi-synthetic and two different real-world datasets show the proposed model outperforms the state-of-the-art models. The proposed model provides individualized treatment decisions for mechanical ventilation that could improve patient outcomes.  ( 2 min )

Vision transformers using self-attention or its proposed alternatives have demonstrated promising results in many image related tasks. However, the underpinning inductive bias of attention is not well understood. To address this issue, this paper analyzes attention through the lens of convex duality. For the non-linear dot-product self-attention, and alternative mechanisms such as MLP-mixer and Fourier Neural Operator (FNO), we derive equivalent finite-dimensional convex problems that are interpretable and solvable to global optimality. The convex programs lead to {\it block nuclear-norm regularization} that promotes low rank in the latent feature and token dimensions. In particular, we show how self-attention networks implicitly clusters the tokens, based on their latent similarity. We conduct experiments for transferring a pre-trained transformer backbone for CIFAR-100 classification by fine-tuning a variety of convex attention heads. The results indicate the merits of the bias induced by attention compared with the existing MLP or linear heads.  ( 2 min )

Curriculum learning strategies in prior multi-task learning approaches arrange datasets in a difficulty hierarchy either based on human perception or by exhaustively searching the optimal arrangement. However, human perception of difficulty may not always correlate well with machine interpretation leading to poor performance and exhaustive search is computationally expensive. Addressing these concerns, we propose two classes of techniques to arrange training instances into a learning curriculum based on difficulty scores computed via model-based approaches. The two classes i.e Dataset-level and Instance-level differ in granularity of arrangement. Through comprehensive experiments with 12 datasets, we show that instance-level and dataset-level techniques result in strong representations as they lead to an average performance improvement of 4.17% and 3.15% over their respective baselines. Furthermore, we find that most of this improvement comes from correctly answering the difficult instances, implying a greater efficacy of our techniques on difficult tasks.  ( 2 min )

As progress is made on training machine learning models on incrementally expanding classification tasks (i.e., incremental learning), a next step is to translate this progress to industry expectations. One technique missing from incremental learning is automatic architecture design via Neural Architecture Search (NAS). In this paper, we show that leveraging NAS for incremental learning results in strong performance gains for classification tasks. Specifically, we contribute the following: first, we create a strong baseline approach for incremental learning based on Differentiable Architecture Search (DARTS) and state-of-the-art incremental learning strategies, outperforming many existing strategies trained with similar-sized popular architectures; second, we extend the idea of architecture search to regularize architecture forgetting, boosting performance past our proposed baseline. We evaluate our method on both RF signal and image classification tasks, and demonstrate we can achieve up to a 10% performance increase over state-of-the-art methods. Most importantly, our contribution enables learning from continuous distributions on real-world application data for which the complexity of the data distribution is unknown, or the modality less explored (such as RF signal classification).  ( 2 min )

Sensorineural hearing loss can be treated using Cochlear implantation. After this surgery using the electrode array impedance measurements, we can check the stability of the impedance value and the dynamic range. Deterioration of speech recognition scores could happen because of increased impedance values. Medicines used to do these measures many times during a year after the surgery. Predicting the electrode impedance could help in taking decisions to help the patient get better hearing. In this research we used a dataset of 80 patients of children who did cochlear implantation using MED-EL FLEX28 electrode array of 12 channels. We predicted the electrode impedance on each channel after 1 month from the surgery date. We used different machine learning algorithms like neural networks and decision trees. Our results indicates that the electrode impedance can be predicted, and the best algorithm is different based on the electrode channel. Also, the accuracy level varies between 66% and 100% based on the electrode channel when accepting an error range between 0 and 3 KO. Further research is required to predict the electrode impedance after three months, six months and one year.  ( 2 min )

Answering complex first-order logic (FOL) queries on knowledge graphs is a fundamental task for multi-hop reasoning. Traditional symbolic methods traverse a complete knowledge graph to extract the answers, which provides good interpretation for each step. Recent neural methods learn geometric embeddings for complex queries. These methods can generalize to incomplete knowledge graphs, but their reasoning process is hard to interpret. In this paper, we propose Graph Neural Network Query Executor (GNN-QE), a neural-symbolic model that enjoys the advantages of both worlds. GNN-QE decomposes a complex FOL query into relation projections and logical operations over fuzzy sets, which provides interpretability for intermediate variables. To reason about the missing links, GNN-QE adapts a graph neural network from knowledge graph completion to execute the relation projections, and models the logical operations with product fuzzy logic. Extensive experiments on 3 datasets show that GNN-QE significantly improves over previous state-of-the-art models in answering FOL queries. Meanwhile, GNN-QE can predict the number of answers without explicit supervision, and provide visualizations for intermediate variables.  ( 2 min )

The ranking of experiments by expected information gain (EIG) in Bayesian experimental design is sensitive to changes in the model's prior distribution, and the approximation of EIG yielded by sampling will have errors similar to the use of a perturbed prior. We define and analyze \emph{robust expected information gain} (REIG), a modification of the objective in EIG maximization by minimizing an affine relaxation of EIG over an ambiguity set of distributions that are close to the original prior in KL-divergence. We show that, when combined with a sampling-based approach to estimating EIG, REIG corresponds to a `log-sum-exp' stabilization of the samples used to estimate EIG, meaning that it can be efficiently implemented in practice. Numerical tests combining REIG with variational nested Monte Carlo (VNMC), adaptive contrastive estimation (ACE) and mutual information neural estimation (MINE) suggest that in practice REIG also compensates for the variability of under-sampled estimators.  ( 2 min )

Neurogenesis in ANNs is an understudied and difficult problem, even compared to other forms of structural learning like pruning. By decomposing it into triggers and initializations, we introduce a framework for studying the various facets of neurogenesis: when, where, and how to add neurons during the learning process. We present the Neural Orthogonality (NORTH*) suite of neurogenesis strategies, combining layer-wise triggers and initializations based on the orthogonality of activations or weights to dynamically grow performant networks that converge to an efficient size. We evaluate our contributions against other recent neurogenesis works across a variety of supervised learning tasks.  ( 2 min )

The Neural Tangent Kernel (NTK) has emerged as a powerful tool to provide memorization, optimization and generalization guarantees in deep neural networks. A line of work has studied the NTK spectrum for two-layer and deep networks with at least a layer with $\Omega(N)$ neurons, $N$ being the number of training samples. Furthermore, there is increasing evidence suggesting that deep networks with sub-linear layer widths are powerful memorizers and optimizers, as long as the number of parameters exceeds the number of samples. Thus, a natural open question is whether the NTK is well conditioned in such a challenging sub-linear setup. In this paper, we answer this question in the affirmative. Our key technical contribution is a lower bound on the smallest NTK eigenvalue for deep networks with the minimum possible over-parameterization: the number of parameters is roughly $\Omega(N)$ and, hence, the number of neurons is as little as $\Omega(\sqrt{N})$. To showcase the applicability of our NTK bounds, we provide two results concerning memorization capacity and optimization guarantees for gradient descent training.  ( 2 min )

Relative positional embeddings (RPE) have received considerable attention since RPEs effectively model the relative distance among tokens and enable length extrapolation. We propose KERPLE, a framework that generalizes relative position embedding for extrapolation by kernelizing positional differences. We achieve this goal using conditionally positive definite (CPD) kernels, a class of functions known for generalizing distance metrics. To maintain the inner product interpretation of self-attention, we show that a CPD kernel can be transformed into a PD kernel by adding a constant offset. This offset is implicitly absorbed in the Softmax normalization during self-attention. The diversity of CPD kernels allows us to derive various RPEs that enable length extrapolation in a principled way. Experiments demonstrate that the logarithmic variant achieves excellent extrapolation performance on three large language modeling datasets.  ( 2 min )

We consider optimizing two-layer neural networks in the mean-field regime where the learning dynamics of network weights can be approximated by the evolution in the space of probability measures over the weight parameters associated with the neurons. The mean-field regime is a theoretically attractive alternative to the NTK (lazy training) regime which is only restricted locally in the so-called neural tangent kernel space around specialized initializations. Several prior works (\cite{mei2018mean, chizat2018global}) establish the asymptotic global optimality of the mean-field regime, but it is still challenging to obtain a quantitative convergence rate due to the complicated nonlinearity of the training dynamics. This work establishes a new linear convergence result for two-layer neural networks trained by continuous-time noisy gradient descent in the mean-field regime. Our result relies on a novelty logarithmic Sobolev inequality for two-layer neural networks, and uniform upper bounds on the logarithmic Sobolev constants for a family of measures determined by the evolving distribution of hidden neurons.  ( 2 min )

The topology of artificial neural networks has a significant effect on their performance. Characterizing efficient topology is a field of promising research in Artificial Intelligence. However, it is not a trivial task and it is mainly experimented on through convolutional neural networks. We propose a hybrid model which combines the tensor calculus of feed-forward neural networks with Pseudo-Darwinian mechanisms. This allows for finding topologies that are well adapted for elaboration of strategies, control problems or pattern recognition tasks. In particular, the model can provide adapted topologies at early evolutionary stages, and 'structural convergence', which can found applications in robotics, big-data and artificial life.  ( 2 min )

Solving the optimal power flow (OPF) problem is a fundamental task to ensure the system efficiency and reliability in real-time electricity grid operations. We develop a new topology-informed graph neural network (GNN) approach for predicting the optimal solutions of real-time ac-OPF problem. To incorporate grid topology to the NN model, the proposed GNN-for-OPF framework innovatively exploits the locality property of locational marginal prices and voltage magnitude. Furthermore, we develop a physics-aware (ac-)flow feasibility regularization approach for general OPF learning. The advantages of our proposed designs include reduced model complexity, improved generalizability and feasibility guarantees. By providing the analytical understanding on the graph subspace stability under grid topology contingency, we show the proposed GNN can quickly adapt to varying grid topology by an efficient re-training strategy. Numerical tests on various test systems of different sizes have validated the prediction accuracy, improved flow feasibility, and topology adaptivity capability of our proposed GNN-based learning framework.  ( 2 min )

Observational studies often seek to infer the causal effect of a treatment even though both the assigned treatment and the outcome depend on other confounding variables. An effective strategy for dealing with confounders is to estimate a propensity model that corrects for the relationship between covariates and assigned treatment. Unfortunately, the confounding variables themselves are not always observed, in which case we can only bound the propensity, and therefore bound the magnitude of causal effects. In many important cases, like administering a dose of some medicine, the possible treatments belong to a continuum. Sensitivity models, which are required to tie the true propensity to something that can be estimated, have been explored for binary treatments. We propose one for continuous treatments. We develop a framework to compute ignorance intervals on the partially identified dose-response curves, enabling us to quantify the susceptibility of an inference to hidden confounders. We show with simulations and three real-world observational studies that our approach can give non-trivial bounds on causal effects from continuous treatments in the presence of hidden confounders.

We propose a non-linear, Bayesian non-parametric latent variable model where the latent space is assumed to be sparse and infinite dimensional a priori using an Indian buffet process prior. A posteriori, the number of instantiated dimensions in the latent space is guaranteed to be finite. The purpose of placing the Indian buffet process on the latent variables is to: 1.) Automatically and probabilistically select the number of latent dimensions. 2.) Impose sparsity in the latent space, where the Indian buffet process will select which elements are exactly zero. Our proposed model allows for sparse, non-linear latent variable modeling where the number of latent dimensions is selected automatically. Inference is made tractable using the random Fourier approximation and we can easily implement posterior inference through Markov chain Monte Carlo sampling. This approach is amenable to many observation models beyond the Gaussian setting. We demonstrate the utility of our method on a variety of synthetic, biological and text datasets and show that we can obtain superior test set performance compared to previous latent variable models.

Failures and anomalies in large-scale software systems are unavoidable incidents. When an issue is detected, operators need to quickly and correctly identify its location to facilitate a swift repair. In this work, we consider the problem of identifying the root cause set that best explains an anomaly in multi-dimensional time series with categorical attributes. The huge search space is the main challenge, even for a small number of attributes and small value sets, the number of theoretical combinations is too large to brute force. Previous approaches have thus focused on reducing the search space, but they all suffer from various issues, requiring extensive manual parameter tuning, being too slow and thus impractical, or being incapable of finding more complex root causes. We propose RiskLoc to solve the problem of multidimensional root cause localization. RiskLoc applies a 2-way partitioning scheme and assigns element weights that linearly increase with the distance from the partitioning point. A risk score is assigned to each element that integrates two factors, 1) its weighted proportion within the abnormal partition, and 2) the relative change in the deviation score adjusted for the ripple effect property. Extensive experiments on multiple datasets verify the effectiveness and efficiency of RiskLoc, and for a comprehensive evaluation, we introduce three synthetically generated datasets that complement existing datasets. We demonstrate that RiskLoc consistently outperforms state-of-the-art baselines, especially in more challenging root cause scenarios, with gains in F1-score up to 57% over the second-best approach with comparable running times.

One of the major difficulties of reinforcement learning is learning from {\em off-policy} samples, which are collected by a different policy (behavior policy) from what the algorithm evaluates (the target policy). Off-policy learning needs to correct the distribution of the samples from the behavior policy towards that of the target policy. Unfortunately, important sampling has an inherent high variance issue which leads to poor gradient estimation in policy gradient methods. We focus on an off-policy Actor-Critic architecture, and propose a novel method, called Preconditioned Proximal Policy Optimization (P3O), which can control the high variance of importance sampling by applying a preconditioner to the Conservative Policy Iteration (CPI) objective. {\em This preconditioning uses the sigmoid function in a special way that when there is no policy change, the gradient is maximal and hence policy gradient will drive a big parameter update for an efficient exploration of the parameter space}. This is a novel exploration method that has not been studied before given that existing exploration methods are based on the novelty of states and actions. We compare with several best-performing algorithms on both discrete and continuous tasks and the results confirmed that {\em P3O is more off-policy than PPO} according to the "off-policyness" measured by the DEON metric, and P3O explores in a larger policy space than PPO. Results also show that our P3O maximizes the CPI objective better than PPO during the training process.

Empirical risk minimization (ERM) is known in practice to be non-robust to distributional shift where the training and the test distributions are different. A suite of approaches, such as importance weighting, and variants of distributionally robust optimization (DRO), have been proposed to solve this problem. But a line of recent work has empirically shown that these approaches do not significantly improve over ERM in real applications with distribution shift. The goal of this work is to obtain a comprehensive theoretical understanding of this intriguing phenomenon. We first posit the class of Generalized Reweighting (GRW) algorithms, as a broad category of approaches that iteratively update model parameters based on iterative reweighting of the training samples. We show that when overparameterized models are trained under GRW, the resulting models are close to that obtained by ERM. We also show that adding small regularization which does not greatly affect the empirical training accuracy does not help. Together, our results show that a broad category of what we term GRW approaches are not able to achieve distributionally robust generalization. Our work thus has the following sobering takeaway: to make progress towards distributionally robust generalization, we either have to develop non-GRW approaches, or perhaps devise novel classification/regression loss functions that are adapted to the class of GRW approaches.

Parameter-freeness in online learning refers to the adaptivity of an algorithm with respect to the optimal decision in hindsight. In this paper, we design such algorithms in the presence of switching cost - the latter penalizes the optimistic updates required by parameter-freeness, leading to a delicate design trade-off. Based on a novel dual space scaling strategy, we propose a simple yet powerful algorithm for Online Linear Optimization (OLO) with switching cost, which improves the existing suboptimal regret bound [ZCP22a] to the optimal rate. The obtained benefit is extended to the expert setting, and the practicality of our algorithm is demonstrated through a sequential investment task.

The significance and abundance of data are increasing due to the growing digital data generated from social media, sensors, scholarly literature, patents, different forms of documents published online, databases, product manuals, etc. Various data sources can be used to generate ideas, yet, in addition to bias, the size of the available digital data is a major challenge when it comes to manual analysis. Hence, human-machine interaction is essential for generating valuable ideas where machine learning and data-driven techniques generate patterns from data and serve human sense-making. However, the use of machine learning and data-driven approaches to generate ideas is a relatively new area. Moreover, it is also possible to stimulate innovation using contest-driven idea generation and evaluation. The results and contributions of this thesis can be viewed as a toolbox of idea-generation techniques, including a list of data-driven and machine learning techniques with corresponding data sources and models to support idea generation. In addition, the results include two models, one method and one framework, to better support data-driven and contest- driven idea generation. The beneficiaries of these artefacts are practitioners in data and knowledge engineering, data mining project managers, and innovation agents. Innovation agents include incubators, contest organizers, consultants, innovation accelerators, and industries. Since the proposed artefacts consist of process models augmented with AI techniques, human-centred AI is a promising area of research that can contribute to the artefacts' further development and promote creativity.

Generating step-by-step "chain-of-thought" rationales improves language model performance on complex reasoning tasks like mathematics or commonsense question-answering. However, inducing language model rationale generation currently requires either constructing massive rationale datasets or sacrificing accuracy by using only few-shot inference. We propose a technique to iteratively leverage a small number of rationale examples and a large dataset without rationales, to bootstrap the ability to perform successively more complex reasoning. This technique, the "Self-Taught Reasoner" (STaR), relies on a simple loop: generate rationales to answer many questions, prompted with a few rationale examples; if the generated answers are wrong, try again to generate a rationale given the correct answer; fine-tune on all the rationales that ultimately yielded correct answers; repeat. We show that STaR significantly improves performance on multiple datasets compared to a model fine-tuned to directly predict final answers, and performs comparably to fine-tuning a 30$\times$ larger state-of-the-art language model on CommensenseQA. Thus, STaR lets a model improve itself by learning from its own generated reasoning.

Different from previous work accelerating translation at the cost of quality loss, we propose Generalized Aggressive Decoding (GAD) -- a novel decoding paradigm for lossless speedup of autoregressive translation, through the collaboration of autoregressive and non-autoregressive translation (NAT) of the Transformer. At each decoding iteration, GAD aggressively decodes a number of tokens with NAT as a draft and then verifies them in the autoregressive manner, where only the tokens that pass the verification are accepted as decoded tokens. GAD can achieve the same results as autoregressive translation but much more efficiently because both NAT drafting and autoregressive verification compute in parallel. We conduct experiments in four standard WMT benchmarks and confirm that the vanilla GAD yields exactly the same results as greedy decoding with an around $3\times$ speedup, and that its variant (GAD++) with an advanced verification strategy not only outperforms the greedy translation and even achieves the comparable translation quality with the beam search result, but also further improves the decoding speed, resulting in an around $5\times$ speedup over autoregressive translation. Moreover, GAD can be easily generalized for lossless speedup of other seq2seq tasks like Abstractive Summarization, and benefit more from stronger computing devices, demonstrating its potential to become a de facto decoding paradigm in the future. Our models and codes are available at https://github.com/hemingkx/GAD.

Risk-aware urban localization with the Global Navigation Satellite System (GNSS) remains an unsolved problem with frequent misdetection of the user's street or side of the street. Significant advances in 3D map-aided GNSS use grid-based GNSS shadow matching alongside AI-driven line-of-sight (LOS) classifiers and server-based processing to improve localization accuracy, especially in the cross-street direction. Our prior work introduces a new paradigm for shadow matching that proposes set-valued localization with computationally efficient zonotope set representations. While existing literature improved accuracy and efficiency, the current state of shadow matching theory does not address the needs of risk-aware autonomous systems. We extend our prior work to propose Mosaic Zonotope Shadow Matching (MZSM) that employs a classifier-agnostic polytope mosaic architecture to provide risk-awareness and certifiable guarantees on urban positioning. We formulate a recursively expanding binary tree that refines an initial location estimate with set operations into smaller polytopes. Together, the smaller polytopes form a mosaic. We weight the tree branches with the probability that the user is in line of sight of the satellite and expand the tree with each new satellite observation. Our method yields an exact shadow matching distribution from which we guarantee uncertainty bounds on the user localization. We perform high-fidelity simulations using a 3D building map of San Francisco to validate our algorithm's risk-aware improvements. We demonstrate that MZSM provides certifiable guarantees across varied data-driven LOS classifier accuracies and yields a more precise understanding of the uncertainty over existing methods. We validate that our tree-based construction is efficient and tractable, computing a mosaic from 14 satellites in 0.63 seconds and growing quadratically in the satellite number.

This paper investigates the vulnerability of the nearest neighbors search, which is a pivotal tool in data analysis and machine learning. The vulnerability is gauged as the relative amount of perturbation that an attacker needs to add onto a dataset point in order to modify its neighbor rank w.r.t. a query. The statistical distribution of this quantity is derived from simple assumptions. Experiments on six large scale datasets validate this model up to some outliers which are explained in term of violations of the assumptions.

We prove an instance independent (poly) logarithmic regret for stochastic contextual bandits with linear payoff. Previously, in \cite{chu2011contextual}, a lower bound of $\mathcal{O}(\sqrt{T})$ is shown for the contextual linear bandit problem with arbitrary (adversarily chosen) contexts. In this paper, we show that stochastic contexts indeed help to reduce the regret from $\sqrt{T}$ to $\polylog(T)$. We propose Low Regret Stochastic Contextual Bandits (\texttt{LR-SCB}), which takes advantage of the stochastic contexts and performs parameter estimation (in $\ell_2$ norm) and regret minimization simultaneously. \texttt{LR-SCB} works in epochs, where the parameter estimation of the previous epoch is used to reduce the regret of the current epoch. The (poly) logarithmic regret of \texttt{LR-SCB} stems from two crucial facts: (a) the application of a norm adaptive algorithm to exploit the parameter estimation and (b) an analysis of the shifted linear contextual bandit algorithm, showing that shifting results in increasing regret. We have also shown experimentally that stochastic contexts indeed incurs a regret that scales with $\polylog(T)$.

Explaining the behaviour of intelligent systems will get increasingly and perhaps intractably challenging as models grow in size and complexity. We may not be able to expect an explanation for every prediction made by a brain-scale model, nor can we expect explanations to remain objective or apolitical. Our functionalist understanding of these models is of less advantage than we might assume. Models precede explanations, and can be useful even when both model and explanation are incorrect. Explainability may never win the race against complexity, but this is less problematic than it seems.

Deep Learning (DL) is a surprisingly successful branch of machine learning. The success of DL is usually explained by focusing analysis on a particular recent algorithm and its traits. Instead, we propose that an explanation of the success of DL must look at the population of all algorithms in the field and how they have evolved over time. We argue that cultural evolution is a useful framework to explain the success of DL. In analogy to biology, we use `development' to mean the process converting the pseudocode or text description of an algorithm into a fully trained model. This includes writing the programming code, compiling and running the program, and training the model. If all parts of the process don't align well then the resultant model will be useless (if the code runs at all!). This is a constraint. A core component of evolutionary developmental biology is the concept of deconstraints -- these are modification to the developmental process that avoid complete failure by automatically accommodating changes in other components. We suggest that many important innovations in DL, from neural networks themselves to hyperparameter optimization and AutoGrad, can be seen as developmental deconstraints. These deconstraints can be very helpful to both the particular algorithm in how it handles challenges in implementation and the overall field of DL in how easy it is for new ideas to be generated. We highlight how our perspective can both advance DL and lead to new insights for evolutionary biology.

Sparse mixture of experts provides larger model capacity while requiring a constant computational overhead. It employs the routing mechanism to distribute input tokens to the best-matched experts according to their hidden representations. However, learning such a routing mechanism encourages token clustering around expert centroids, implying a trend toward representation collapse. In this work, we propose to estimate the routing scores between tokens and experts on a low-dimensional hypersphere. We conduct extensive experiments on cross-lingual language model pre-training and fine-tuning on downstream tasks. Experimental results across seven multilingual benchmarks show that our method achieves consistent gains. We also present a comprehensive analysis on the representation and routing behaviors of our models. Our method alleviates the representation collapse issue and achieves more consistent routing than the baseline mixture-of-experts methods.

Argumentation is one of society's foundational pillars, and, sparked by advances in NLP and the vast availability of text data, automated mining of arguments receives increasing attention. A decisive property of arguments is their strength or quality. While there are works on the automated estimation of argument strength, their scope is narrow: they focus on isolated datasets and neglect the interactions with related argument mining tasks, such as argument identification, evidence detection, or emotional appeal. In this work, we close this gap by approaching argument quality estimation from multiple different angles: Grounded on rich results from thorough empirical evaluations, we assess the generalization capabilities of argument quality estimation across diverse domains, the interplay with related argument mining tasks, and the impact of emotions on perceived argument strength. We find that generalization depends on a sufficient representation of different domains in the training part. In zero-shot transfer and multi-task experiments, we reveal that argument quality is among the more challenging tasks but can improve others. Finally, we show that emotions play a minor role in argument quality than is often assumed.

Deep graph learning has achieved remarkable progresses in both business and scientific areas ranging from finance and e-commerce, to drug and advanced material discovery. Despite these progresses, how to ensure various deep graph learning algorithms behave in a socially responsible manner and meet regulatory compliance requirements becomes an emerging problem, especially in risk-sensitive domains. Trustworthy graph learning (TwGL) aims to solve the above problems from a technical viewpoint. In contrast to conventional graph learning research which mainly cares about model performance, TwGL considers various reliability and safety aspects of the graph learning framework including but not limited to robustness, explainability, and privacy. In this survey, we provide a comprehensive review of recent leading approaches in the TwGL field from three dimensions, namely, reliability, explainability, and privacy protection. We give a general categorization for existing work and review typical work for each category. To give further insights for TwGL research, we provide a unified view to inspect previous works and build the connection between them. We also point out some important open problems remaining to be solved in the future developments of TwGL.

The National Football League and Amazon Web Services teamed up to develop the best sports injury surveillance and mitigation program via the Kaggle competition. Through which the NFL wants to assign specific players to each helmet, which would help accurately identify each player's "exposures" throughout a football play. We are trying to implement a computer vision based ML algorithms capable of assigning detected helmet impacts to correct players via tracking information. Our paper will explain the approach to automatically track player helmets and their collisions. This will also allow them to review previous plays and explore the trends in exposure over time.

Decision trees (DTs) epitomize the ideal of interpretability of machine learning (ML) models. The interpretability of decision trees motivates explainability approaches by so-called intrinsic interpretability, and it is at the core of recent proposals for applying interpretable ML models in high-risk applications. The belief in DT interpretability is justified by the fact that explanations for DT predictions are generally expected to be succinct. Indeed, in the case of DTs, explanations correspond to DT paths. Since decision trees are ideally shallow, and so paths contain far fewer features than the total number of features, explanations in DTs are expected to be succinct, and hence interpretable. This paper offers both theoretical and experimental arguments demonstrating that, as long as interpretability of decision trees equates with succinctness of explanations, then decision trees ought not be deemed interpretable. The paper introduces logically rigorous path explanations and path explanation redundancy, and proves that there exist functions for which decision trees must exhibit paths with arbitrarily large explanation redundancy. The paper also proves that only a very restricted class of functions can be represented with DTs that exhibit no explanation redundancy. In addition, the paper includes experimental results substantiating that path explanation redundancy is observed ubiquitously in decision trees, including those obtained using different tree learning algorithms, but also in a wide range of publicly available decision trees. The paper also proposes polynomial-time algorithms for eliminating path explanation redundancy, which in practice require negligible time to compute. Thus, these algorithms serve to indirectly attain irreducible, and so succinct, explanations for decision trees.

Causal discovery, the learning of causality in a data mining scenario, has been of strong scientific and theoretical interest as a starting point to identify "what causes what?" Contingent on assumptions and a proper learning algorithm, it is sometimes possible to identify and accurately estimate a causal directed acyclic graph (DAG), as opposed to a Markov equivalence class of graphs that gives ambiguity of causal directions. The focus of this paper is in highlighting the identifiability and estimation of DAGs with general error distributions through a general sequential sorting procedure that orders variables one at a time, starting at root nodes, followed by children of the root nodes, and so on until completion. We demonstrate a novel application of this general approach to estimate the topological ordering of a DAG. At each step of the procedure, only simple likelihood ratio scores are calculated on regression residuals to decide the next node to append to the current partial ordering. The computational complexity of our algorithm on a p-node problem is O(pd), where d is the maximum neighborhood size. Under mild assumptions, the population version of our procedure provably identifies a true ordering of the underlying DAG. We provide extensive numerical evidence to demonstrate that this sequential procedure scales to possibly thousands of nodes and works well for high-dimensional data. We accompany these numerical experiments with an application to a single-cell gene expression dataset.

Increasing interest in privacy-preserving machine learning has led to new and evolved approaches for generating private synthetic data from undisclosed real data. However, mechanisms of privacy preservation can significantly reduce the utility of synthetic data, which in turn impacts downstream tasks such as learning predictive models or inference. We propose several re-weighting strategies using privatised likelihood ratios that not only mitigate statistical bias of downstream estimators but also have general applicability to differentially private generative models. Through large-scale empirical evaluation, we show that private importance weighting provides simple and effective privacy-compliant augmentation for general applications of synthetic data.

In non-clairvoyant scheduling, the task is to find an online strategy for scheduling jobs with a priori unknown processing requirements with the objective to minimize the total (weighted) completion time. We revisit this well-studied problem in a recently popular learning-augmented setting that integrates (untrusted) predictions in online algorithm design. While previous works used predictions on processing requirements, we propose a new prediction model, which provides a relative order of jobs which could be seen as predicting algorithmic actions rather than parts of the unknown input. We show that these predictions have desired properties, admit a natural error measure as well as algorithms with strong performance guarantees and that they are learnable in both, theory and practice. We generalize the algorithmic framework proposed in the seminal paper by Kumar et al. (NeurIPS'18) and present the first learning-augmented scheduling results for weighted jobs and unrelated machines. We demonstrate in empirical experiments the practicability and superior performance compared to the previously suggested single-machine algorithms.

One of the main broad applications of deep learning is function regression. However, despite their demonstrated accuracy and robustness, modern neural network architectures require heavy computational resources to train. One method to mitigate or even resolve this inefficiency has been to draw further inspiration from the brain and reformulate the learning process in a more biologically-plausible way, developing what are known as Spiking Neural Networks (SNNs), which have been gaining traction in recent years. In this paper we present an SNN-based method to perform regression, which has been a challenge due to the inherent difficulty in representing a function's input domain and continuous output values as spikes. We use a DeepONet - neural network designed to learn operators - to learn the behavior of spikes. Then, we use this approach to do function regression. We propose several methods to use a DeepONet in the spiking framework, and present accuracy and training time for different benchmarks.

Millimeter wave (mmWave) localization algorithms exploit the quasi-optical propagation of mmWave signals, which yields sparse angular spectra at the receiver. Geometric approaches to angle-based localization typically require to know the map of the environment and the location of the access points. Thus, several works have resorted to automated learning in order to infer a device's location from the properties of the received mmWave signals. However, collecting training data for such models is a significant burden. In this work, we propose a shallow neural network model to localize mmWave devices indoors. This model requires significantly fewer weights than those proposed in the literature. Therefore, it is amenable for implementation in resource-constrained hardware, and needs fewer training samples to converge. We also propose to relieve training data collection efforts by retrieving (inherently imperfect) location estimates from geometry-based mmWave localization algorithms. Even in this case, our results show that the proposed neural networks perform as good as or better than state-of-the-art algorithms.

Analyzing and inspecting bone marrow cell cytomorphology is a critical but highly complex and time-consuming component of hematopathology diagnosis. Recent advancements in artificial intelligence have paved the way for the application of deep learning algorithms to complex medical tasks. Nevertheless, there are many challenges in applying effective learning algorithms to medical image analysis, such as the lack of sufficient and reliably annotated training datasets and the highly class-imbalanced nature of most medical data. Here, we improve on the state-of-the-art methodologies of bone marrow cell recognition by deviating from sole reliance on labeled data and leveraging self-supervision in training our learning models. We investigate our approach's effectiveness in identifying bone marrow cell types. Our experiments demonstrate significant performance improvements in conducting different bone marrow cell recognition tasks compared to the current state-of-the-art methodologies.

Multi-input multi-output architectures propose to train multiple subnetworks within one base network and then average the subnetwork predictions to benefit from ensembling for free. Despite some relative success, these architectures are wasteful in their use of parameters. Indeed, we highlight in this paper that the learned subnetwork fail to share even generic features which limits their applicability on smaller mobile and AR/VR devices. We posit this behavior stems from an ill-posed part of the multi-input multi-output framework. To solve this issue, we propose a novel unmixing step in MIMO architectures that allows subnetworks to properly share features. Preliminary experiments on CIFAR-100 show our adjustments allow feature sharing and improve model performance for small architectures.

Building machine learning models for natural language understanding (NLU) tasks relies heavily on labeled data. Weak supervision has been proven valuable when large amount of labeled data is unavailable or expensive to obtain. Existing works studying weak supervision for NLU either mostly focus on a specific task or simulate weak supervision signals from ground-truth labels. It is thus hard to compare different approaches and evaluate the benefit of weak supervision without access to a unified and systematic benchmark with diverse tasks and real-world weak labeling rules. In this paper, we propose such a benchmark, named WALNUT (semi-WeAkly supervised Learning for Natural language Understanding Testbed), to advocate and facilitate research on weak supervision for NLU. WALNUT consists of NLU tasks with different types, including document-level and token-level prediction tasks. WALNUT is the first semi-weakly supervised learning benchmark for NLU, where each task contains weak labels generated by multiple real-world weak sources, together with a small set of clean labels. We conduct baseline evaluations on WALNUT to systematically evaluate the effectiveness of various weak supervision methods and model architectures. Our results demonstrate the benefit of weak supervision for low-resource NLU tasks and highlight interesting patterns across tasks. We expect WALNUT to stimulate further research on methodologies to leverage weak supervision more effectively. The benchmark and code for baselines are available at \url{aka.ms/walnut_benchmark}.

Binary Neural Networks (BNNs), neural networks with weights and activations constrained to -1(0) and +1, are an alternative to deep neural networks which offer faster training, lower memory consumption and lightweight models, ideal for use in resource constrained devices while being able to utilize the architecture of their deep neural network counterpart. However, the input binarization step used in BNNs causes a severe accuracy loss. In this paper, we introduce a novel hybrid neural network architecture, Hybrid Binary Neural Network (HyBNN), consisting of a task-independent, general, full-precision variational autoencoder with a binary latent space and a task specific binary neural network that is able to greatly limit the accuracy loss due to input binarization by using the full precision variational autoencoder as a feature extractor. We use it to combine the state-of-the-art accuracy of deep neural networks with the much faster training time, quicker test-time inference and power efficiency of binary neural networks. We show that our proposed system is able to very significantly outperform a vanilla binary neural network with input binarization. We also introduce FedHyBNN, a highly communication efficient federated counterpart to HyBNN and demonstrate that it is able to reach the same accuracy as its non-federated equivalent. We make our source code, experimental parameters and models available at: https://anonymous.4open.science/r/HyBNN.

We present masked graph autoencoder (MaskGAE), a self-supervised learning framework for graph-structured data. Different from previous graph autoencoders (GAEs), MaskGAE adopts masked graph modeling (MGM) as a principled pretext task: masking a portion of edges and attempting to reconstruct the missing part with partially visible, unmasked graph structure. To understand whether MGM can help GAEs learn better representations, we provide both theoretical and empirical evidence to justify the benefits of this pretext task. Theoretically, we establish the connections between GAEs and contrastive learning, showing that MGM significantly improves the self-supervised learning scheme of GAEs. Empirically, we conduct extensive experiments on a number of benchmark datasets, demonstrating the superiority of MaskGAE over several state-of-the-arts on both link prediction and node classification tasks. Our code is publicly available at \url{https://github.com/EdisonLeeeee/MaskGAE}.

Many modern applications of the artificial neural networks ensue large number of layers making traditional digital implementations increasingly complex. Optical neural networks offer parallel processing at high bandwidth, but have the challenge of noise accumulation. We propose here a new type of neural networks using stochastic resonances as an inherent part of the architecture and demonstrate a possibility of significant reduction of the required number of neurons for a given performance accuracy. We also show that such a neural network is more robust against the impact of noise.

This paper uses rule search techniques for the early identification of emergency homeless shelter clients who are at risk of becoming long term or chronic shelter users. Using a data set from a major North American shelter containing 12 years of service interactions with over 40,000 individuals, the optimized pruning for unordered search (OPUS) algorithm is used to develop rules that are both intuitive and effective. The rules are evaluated within a framework compatible with the real-time delivery of a housing program meant to transition high risk clients to supportive housing. Results demonstrate that the median time to identification of clients at risk of chronic shelter use drops from 297 days to 162 days when the methods in this paper are applied.

Instability of trained models, i.e., the dependence of individual node predictions on random factors, can affect reproducibility, reliability, and trust in machine learning systems. In this paper, we systematically assess the prediction instability of node classification with state-of-the-art Graph Neural Networks (GNNs). With our experiments, we establish that multiple instantiations of popular GNN models trained on the same data with the same model hyperparameters result in almost identical aggregated performance but display substantial disagreement in the predictions for individual nodes. We find that up to one third of the incorrectly classified nodes differ across algorithm runs. We identify correlations between hyperparameters, node properties, and the size of the training set with the stability of predictions. In general, maximizing model performance implicitly also reduces model instability.

Curriculum reinforcement learning (CRL) aims to speed up learning of a task by changing gradually the difficulty of the task from easy to hard through control of factors such as initial state or environment dynamics. While automating CRL is well studied in the single-agent setting, in multi-agent reinforcement learning (MARL) an open question is whether control of the number of agents with other factors in a principled manner is beneficial, prior approaches typically relying on hand-crafted heuristics. In addition, how the tasks evolve as the number of agents changes remains understudied, which is critical for scaling to more challenging tasks. We introduce self-paced MARL (SPMARL) that enables optimizing the number of agents with other environment factors in a principled way, and, show that usual assumptions such as that fewer agents make the task always easier are not generally valid. The curriculum induced by SPMARL reveals the evolution of tasks w.r.t. number of agents and experiments show that SPMARL improves the performance when the number of agents sufficiently influences task difficulty.

Artificial learning agents are mediating a larger and larger number of interactions among humans, firms, and organizations, and the intersection between mechanism design and machine learning has been heavily investigated in recent years. However, mechanism design methods often make strong assumptions on how participants behave (e.g. rationality), on the kind of knowledge designers have access to a priori (e.g. access to strong baseline mechanisms), or on what the goal of the mechanism should be (e.g. total welfare). Here we introduce HCMD-zero, a general purpose method to construct mechanisms making none of these three assumptions. HCMD-zero learns to mediate interactions among participants and adjusts the mechanism parameters to make itself more likely to be preferred by participants. It does so by remaining engaged in an electoral contest with copies of itself, thereby accessing direct feedback from participants. We test our method on a stylized resource allocation game that highlights the tension between productivity, equality and the temptation to free ride. HCMD-zero produces a mechanism that is preferred by human participants over a strong baseline, it does so automatically, without requiring prior knowledge, and using human behavioral trajectories sparingly and effectively. Our analysis shows HCMD-zero consistently makes the mechanism policy more and more likely to be preferred by human participants over the course of training, and that it results in a mechanism with an interpretable and intuitive policy.

In this paper, the minimization of the weighted sum average age of information (AoI) in a multi-source status update communication system is studied. Multiple independent sources send update packets to a common destination node in a time-slotted manner under the limit of maximum retransmission rounds. Different multiple access schemes, i.e., orthogonal multiple access (OMA) and non-orthogonal multiple access (NOMA) are exploited here over a block-fading multiple access channel (MAC). Constrained Markov decision process (CMDP) problems are formulated to describe the AoI minimization problems considering both transmission schemes. The Lagrangian method is utilised to convert CMDP problems to unconstraint Markov decision process (MDP) problems and corresponding algorithms to derive the power allocation policies are obtained. On the other hand, for the case of unknown environments, two online reinforcement learning approaches considering both multiple access schemes are proposed to achieve near-optimal age performance. Numerical simulations validate the improvement of the proposed policy in terms of weighted sum AoI compared to the fixed power transmission policy, and illustrate that NOMA is more favorable in case of larger packet size.

We present 2-dimensional turbulent electric field calculations via physics-informed deep learning consistent with (i) drift-reduced Braginskii theory under the framework of an axisymmetric fusion plasma with purely toroidal field and (ii) experimental estimates of the fluctuating electron density and temperature obtained from analysis of gas puff imaging of a discharge on the Alcator C-Mod tokamak. The inclusion of effects from the locally puffed atomic helium on particle and energy sources within the reduced plasma turbulence model are found to strengthen correlations between the electric field and electron pressure. The neutrals are also directly associated with an observed broadening in the distribution of turbulent field amplitudes and increased ${\bf E \times B}$ shearing rates.

Despite their outstanding performance in a broad spectrum of real-world tasks, deep artificial neural networks are sensitive to input noises, particularly adversarial perturbations. On the contrary, human and animal brains are much less vulnerable. In contrast to the one-shot inference performed by most deep neural networks, the brain often solves decision-making with an evidence accumulation mechanism that may trade time for accuracy when facing noisy inputs. The mechanism is well described by the Drift-Diffusion Model (DDM). In the DDM, decision-making is modeled as a process in which noisy evidence is accumulated toward a threshold. Drawing inspiration from the DDM, we propose the Dropout-based Drift-Diffusion Model (DDDM) that combines test-phase dropout and the DDM for improving the robustness for arbitrary neural networks. The dropouts create temporally uncorrelated noises in the network that counter perturbations, while the evidence accumulation mechanism guarantees a reasonable decision accuracy. Neural networks enhanced with the DDDM tested in image, speech, and text classification tasks all significantly outperform their native counterparts, demonstrating the DDDM as a task-agnostic defense against adversarial attacks.

Human Activity Recognition (HAR) describes the machines ability to recognize human actions. Nowadays, most people on earth are health conscious, so people are more interested in tracking their daily activities using Smartphones or Smart Watches, which can help them manage their daily routines in a healthy way. With this objective, Kaggle has conducted a competition to classify 6 different human activities distinctly based on the inertial signals obtained from 30 volunteers smartphones. The main challenge in HAR is to overcome the difficulties of separating human activities based on the given data such that no two activities overlap. In this experimentation, first, Data visualization is done on expert generated features with the help of t distributed Stochastic Neighborhood Embedding followed by applying various Machine Learning techniques like Logistic Regression, Linear SVC, Kernel SVM, Decision trees to better classify the 6 distinct human activities. Moreover, Deep Learning techniques like Long Short-Term Memory (LSTM), Bi-Directional LSTM, Recurrent Neural Network (RNN), and Gated Recurrent Unit (GRU) are trained using raw time series data. Finally, metrics like Accuracy, Confusion matrix, precision and recall are used to evaluate the performance of the Machine Learning and Deep Learning models. Experiment results proved that the Linear Support Vector Classifier in machine learning and Gated Recurrent Unit in Deep Learning provided better accuracy for human activity recognition compared to other classifiers.

Ads allocation, which involves allocating ads and organic items to limited slots in feed with the purpose of maximizing platform revenue, has become a research hotspot. Notice that, e-commerce platforms usually have multiple entrances for different categories and some entrances have few visits. Data from these entrances has low coverage, which makes it difficult for the agent to learn. To address this challenge, we propose Similarity-based Hybrid Transfer for Ads Allocation (SHTAA), which effectively transfers samples as well as knowledge from data-rich entrance to data-poor entrance. Specifically, we define an uncertainty-aware similarity for MDP to estimate the similarity of MDP for different entrances. Based on this similarity, we design a hybrid transfer method, including instance transfer and strategy transfer, to efficiently transfer samples and knowledge from one entrance to another. Both offline and online experiments on Meituan food delivery platform demonstrate that the proposed method could achieve better performance for data-poor entrance and increase the revenue for the platform.

Foundation Models (FMs) are models trained on large corpora of data that, at very large scale, can generalize to new tasks without any task-specific finetuning. As these models continue to grow in size, innovations continue to push the boundaries of what these models can do on language and image tasks. This paper aims to understand an underexplored area of FMs: classical data tasks like cleaning and integration. As a proof-of-concept, we cast three data cleaning and integration tasks as prompting tasks and evaluate the performance of FMs on these tasks. We find that large FMs generalize and achieve SoTA performance on data cleaning and integration tasks, even though they are not trained for these data tasks. We identify specific research challenges and opportunities that these models present, including challenges with private and temporal data, and opportunities to make data driven systems more accessible to non-experts. We make our code and experiments publicly available at: https://github.com/HazyResearch/fm_data_tasks.

Inpatient violence is a common and severe problem within psychiatry. Knowing who might become violent can influence staffing levels and mitigate severity. Predictive machine learning models can assess each patient's likelihood of becoming violent based on clinical notes. Yet, while machine learning models benefit from having more data, data availability is limited as hospitals typically do not share their data for privacy preservation. Federated Learning (FL) can overcome the problem of data limitation by training models in a decentralised manner, without disclosing data between collaborators. However, although several FL approaches exist, none of these train Natural Language Processing models on clinical notes. In this work, we investigate the application of Federated Learning to clinical Natural Language Processing, applied to the task of Violence Risk Assessment by simulating a cross-institutional psychiatric setting. We train and compare four models: two local models, a federated model and a data-centralised model. Our results indicate that the federated model outperforms the local models and has similar performance as the data-centralised model. These findings suggest that Federated Learning can be used successfully in a cross-institutional setting and is a step towards new applications of Federated Learning based on clinical notes

Within the emerging research efforts to combine structured and unstructured knowledge, many approaches incorporate factual knowledge, e.g., available in form of structured knowledge graphs (KGs), into pre-trained language models (PLMs) and then apply the knowledge-enhanced PLMs to downstream NLP tasks. However, (1) they typically only consider \textit{static} factual knowledge, whereas, e.g., knowledge graphs (KGs) also contain \textit{temporal facts} or \textit{events} indicating evolutionary relationships among entities at different timestamps. (2) PLMs cannot be directly applied to many KG tasks, such as temporal KG completion. In this paper, we focus on \textbf{e}nhancing temporal knowledge embeddings with \textbf{co}ntextualized \textbf{la}nguage representations (ECOLA). We align structured knowledge, contained in temporal knowledge graphs, with their textual descriptions extracted from news articles, and propose a novel knowledge-text prediction task to inject the abundant information from descriptions into temporal knowledge embeddings. ECOLA jointly optimizes the knowledge-text prediction objective and the temporal knowledge embeddings, which can simultaneously take full advantage of textual and knowledge information. The proposed fusion method is model-agnostic and can be combined with potentially any temporal KG model. For training ECOLA, we introduce three temporal KG datasets with aligned textual descriptions. Experimental results on the temporal knowledge graph completion task show that ECOLA outperforms state-of-the-art temporal KG models by a large margin. The proposed datasets can serve as new temporal KG benchmarks and facilitate future research on structured and unstructured knowledge integration.

Large Neighborhood Search (LNS) is a combinatorial optimization heuristic that starts with an assignment of values for the variables to be optimized, and iteratively improves it by searching a large neighborhood around the current assignment. In this paper we consider a learning-based LNS approach for mixed integer programs (MIPs). We train a Neural Diving model to represent a probability distribution over assignments, which, together with an off-the-shelf MIP solver, generates an initial assignment. Formulating the subsequent search steps as a Markov Decision Process, we train a Neural Neighborhood Selection policy to select a search neighborhood at each step, which is searched using a MIP solver to find the next assignment. The policy network is trained using imitation learning. We propose a target policy for imitation that, given enough compute resources, is guaranteed to select the neighborhood containing the optimal next assignment amongst all possible choices for the neighborhood of a specified size. Our approach matches or outperforms all the baselines on five real-world MIP datasets with large-scale instances from diverse applications, including two production applications at Google. It achieves $2\times$ to $37.8\times$ better average primal gap than the best baseline on three of the datasets at large running times.

Generalization across different environments with the same tasks is critical for successful applications of visual reinforcement learning (RL) in real scenarios. However, visual distractions -- which are common in real scenes -- from high-dimensional observations can be hurtful to the learned representations in visual RL, thus degrading the performance of generalization. To tackle this problem, we propose a novel approach, namely Characteristic Reward Sequence Prediction (CRESP), to extract the task-relevant information by learning reward sequence distributions (RSDs), as the reward signals are task-relevant in RL and invariant to visual distractions. Specifically, to effectively capture the task-relevant information via RSDs, CRESP introduces an auxiliary task -- that is, predicting the characteristic functions of RSDs -- to learn task-relevant representations, because we can well approximate the high-dimensional distributions by leveraging the corresponding characteristic functions. Experiments demonstrate that CRESP significantly improves the performance of generalization on unseen environments, outperforming several state-of-the-arts on DeepMind Control tasks with different visual distractions.

The topic of comprehensibility of machine-learned theories has recently drawn increasing attention. Inductive Logic Programming (ILP) uses logic programming to derive logic theories from small data based on abduction and induction techniques. Learned theories are represented in the form of rules as declarative descriptions of obtained knowledge. In earlier work, the authors provided the first evidence of a measurable increase in human comprehension based on machine-learned logic rules for simple classification tasks. In a later study, it was found that the presentation of machine-learned explanations to humans can produce both beneficial and harmful effects in the context of game learning. We continue our investigation of comprehensibility by examining the effects of the ordering of concept presentations on human comprehension. In this work, we examine the explanatory effects of curriculum order and the presence of machine-learned explanations for sequential problem-solving. We show that 1) there exist tasks A and B such that learning A before B has a better human comprehension with respect to learning B before A and 2) there exist tasks A and B such that the presence of explanations when learning A contributes to improved human comprehension when subsequently learning B. We propose a framework for the effects of sequential teaching on comprehension based on an existing definition of comprehensibility and provide evidence for support from data collected in human trials. Empirical results show that sequential teaching of concepts with increasing complexity a) has a beneficial effect on human comprehension and b) leads to human re-discovery of divide-and-conquer problem-solving strategies, and c) studying machine-learned explanations allows adaptations of human problem-solving strategy with better performance.

Reinforcement learning has achieved tremendous success in many complex decision making tasks. When it comes to deploying RL in the real world, safety concerns are usually raised, leading to a growing demand for safe reinforcement learning algorithms, such as in autonomous driving and robotics scenarios. While safety control has a long history, the study of safe RL algorithms is still in the early stages. To establish a good foundation for future research in this thread, in this paper, we provide a review for safe RL from the perspectives of methods, theory and applications. Firstly, we review the progress of safe RL from five dimensions and come up with five problems that are crucial for safe RL being deployed in real-world applications, coined as "2H3W". Secondly, we analyze the theory and algorithm progress from the perspectives of answering the "2H3W" problems. Then, the sample complexity of safe RL methods is reviewed and discussed, followed by an introduction of the applications and benchmarks of safe RL algorithms. Finally, we open the discussion of the challenging problems in safe RL, hoping to inspire more future research on this thread. To advance the study of safe RL algorithms, we release a benchmark suite, an open-sourced repository containing the implementations of major safe RL algorithms, along with tutorials at the link: https://github.com/chauncygu/Safe-Reinforcement-Learning-Baselines.git.

Automated scoring of open-ended student responses has the potential to significantly reduce human grader effort. Recent advances in automated scoring often leverage textual representations based on pre-trained language models such as BERT and GPT as input to scoring models. Most existing approaches train a separate model for each item/question, which is suitable for scenarios such as essay scoring where items can be quite different from one another. However, these approaches have two limitations: 1) they fail to leverage item linkage for scenarios such as reading comprehension where multiple items may share a reading passage; 2) they are not scalable since storing one model per item becomes difficult when models have a large number of parameters. In this paper, we report our (grand prize-winning) solution to the National Assessment of Education Progress (NAEP) automated scoring challenge for reading comprehension. Our approach, in-context BERT fine-tuning, produces a single shared scoring model for all items with a carefully-designed input structure to provide contextual information on each item. We demonstrate the effectiveness of our approach via local evaluations using the training dataset provided by the challenge. We also discuss the biases, common error types, and limitations of our approach.

Monte Carlo (MC) integration is the de facto method for approximating the predictive distribution of Bayesian neural networks (BNNs). But, even with many MC samples, Gaussian-based BNNs could still yield bad predictive performance due to the posterior approximation's error. Meanwhile, alternatives to MC integration tend to be more expensive or biased. In this work, we experimentally show that the key to good MC-approximated predictive distributions is the quality of the approximate posterior itself. However, previous methods for obtaining accurate posterior approximations are expensive and non-trivial to implement. We, therefore, propose to refine Gaussian approximate posteriors with normalizing flows. When applied to last-layer BNNs, it yields a simple \emph{post hoc} method for improving pre-existing parametric approximations. We show that the resulting posterior approximation is competitive with even the gold-standard full-batch Hamiltonian Monte Carlo.

The theory of weak optimal transport (WOT), introduced by [Gozlan et al., 2017], generalizes the classic Monge-Kantorovich framework by allowing the transport cost between one point and the points it is matched with to be nonlinear. In the so-called barycentric version of WOT, the cost for transporting a point $x$ only depends on $x$ and on the barycenter of the points it is matched with. This aggregation property of WOT is appealing in machine learning, economics and finance. Yet algorithms to compute WOT have only been developed for the special case of quadratic barycentric WOT, or depend on neural networks with no guarantee on the computed value and matching. The main difficulty lies in the transportation constraints which are costly to project onto. In this paper, we propose to use mirror descent algorithms to solve the primal and dual versions of the WOT problem. We also apply our algorithms to the variant of WOT introduced by [Chon\'e et al., 2022] where mass is distributed from one space to another through unnormalized kernels (WOTUK). We empirically compare the solutions of WOT and WOTUK with classical OT. We illustrate our numerical methods to the economic framework of [Chon\'e and Kramarz, 2021], namely the matching between workers and firms on labor markets.

We introduce primed-PCA (pPCA), a two-step algorithm for speeding up the approximation of principal components. This algorithm first runs any approximate-PCA method to get an initial estimate of the principal components (priming), and then applies an exact PCA in the subspace they span. Since this subspace is of small dimension in any practical use, the second step is extremely cheap computationally. Nonetheless, it improves accuracy significantly for a given computational budget across datasets. In this setup, the purpose of the priming is to narrow down the search space, and prepare the data for the second step, an exact calculation. We show formally that pPCA improves upon the priming algorithm under very mild conditions, and we provide experimental validation on both synthetic and real large-scale datasets showing that it systematically translates to improved performance. In our experiments we prime pPCA by several approximate algorithms and report an average speedup by a factor of 7.2 over Oja's rule, and a factor of 10.5 over EigenGame.

This is the paper for the first place winning solution of the Drone vs. Bird Challenge, organized by AVSS 2021. As the usage of drones increases with lowered costs and improved drone technology, drone detection emerges as a vital object detection task. However, detecting distant drones under unfavorable conditions, namely weak contrast, long-range, low visibility, requires effective algorithms. Our method approaches the drone detection problem by fine-tuning a YOLOv5 model with real and synthetically generated data using a Kalman-based object tracker to boost detection confidence. Our results indicate that augmenting the real data with an optimal subset of synthetic data can increase the performance. Moreover, temporal information gathered by object tracking methods can increase performance further.

This work presents Spacecraft Pose Network v2 (SPNv2), a Convolutional Neural Network (CNN) for pose estimation of noncooperative spacecraft across domain gap. SPNv2 is a multi-scale, multi-task CNN which consists of a shared multi-scale feature encoder and multiple prediction heads that perform different tasks on a shared feature output. These tasks are all related to detection and pose estimation of a target spacecraft from an image, such as prediction of pre-defined satellite keypoints, direct pose regression, and binary segmentation of the satellite foreground. It is shown that by jointly training on different yet related tasks with extensive data augmentations on synthetic images only, the shared encoder learns features that are common across image domains that have fundamentally different visual characteristics compared to synthetic images. This work also introduces Online Domain Refinement (ODR) which refines the parameters of the normalization layers of SPNv2 on the target domain images online at deployment. Specifically, ODR performs self-supervised entropy minimization of the predicted satellite foreground, thereby improving the CNN's performance on the target domain images without their pose labels and with minimal computational efforts. The GitHub repository for SPNv2 is available at \url{https://github.com/tpark94/spnv2}.

Deep neural networks have largely demonstrated their ability to perform automated speech recognition (ASR) by extracting meaningful features from input audio frames. Such features, however, may consist not only of information about the spoken language content, but also may contain information about unnecessary contexts such as background noise and sounds or speaker identity, accent, or protected attributes. Such information can directly harm generalization performance, by introducing spurious correlations between the spoken words and the context in which such words were spoken. In this work, we introduce an unsupervised, encoder-agnostic method for factoring speech-encoder representations into explicit content-encoding representations and spurious context-encoding representations. By doing so, we demonstrate improved performance on standard ASR benchmarks, as well as improved performance in both real-world and artificially noisy ASR scenarios.

Money laundering is one of the most relevant criminal activities today, due to its potential to cause massive financial losses to governments, banks, etc. We propose DELATOR, a new CAAT (computer-assisted audit technology) to detect money laundering activities based on neural network models that encode bank transfers as a large-scale temporal graph. In collaboration with a Brazilian bank, we design and apply an evaluation strategy to quantify DELATOR's performance on historic data comprising millions of clients. DELATOR outperforms an off-the-shelf solution from Amazon AWS by 18.9% with respect to AUC. We conducted real experiments that led to discovery of 8 new suspicious among 100 analyzed cases, which would have been reported to the authorities under the current criteria.

The fundamental problem of causal inference -- that we never observe counterfactuals -- prevents us from identifying how many might be negatively affected by a proposed intervention. If, in an A/B test, half of users click (or buy, or watch, or renew, etc.), whether exposed to the standard experience A or a new one B, hypothetically it could be because the change affects no one, because the change positively affects half the user population to go from no-click to click while negatively affecting the other half, or something in between. While unknowable, this impact is clearly of material importance to the decision to implement a change or not, whether due to fairness, long-term, systemic, or operational considerations. We therefore derive the tightest-possible (i.e., sharp) bounds on the fraction negatively affected (and other related estimands) given data with only factual observations, whether experimental or observational. Naturally, the more we can stratify individuals by observable covariates, the tighter the sharp bounds. Since these bounds involve unknown functions that must be learned from data, we develop a robust inference algorithm that is efficient almost regardless of how and how fast these functions are learned, remains consistent when some are mislearned, and still gives valid conservative bounds when most are mislearned. Our methodology altogether therefore strongly supports credible conclusions: it avoids spuriously point-identifying this unknowable impact, focusing on the best bounds instead, and it permits exceedingly robust inference on these. We demonstrate our method in simulation studies and in a case study of career counseling for the unemployed.

Short-term forecasting of passenger flow is critical for transit management and crowd regulation. Spatial dependencies, temporal dependencies, inter-station correlations driven by other latent factors, and exogenous factors bring challenges to the short-term forecasts of passenger flow of urban rail transit networks. An innovative deep learning approach, Multi-Graph Convolutional-Recurrent Neural Network (MGC-RNN) is proposed to forecast passenger flow in urban rail transit systems to incorporate these complex factors. We propose to use multiple graphs to encode the spatial and other heterogenous inter-station correlations. The temporal dynamics of the inter-station correlations are also modeled via the proposed multi-graph convolutional-recurrent neural network structure. Inflow and outflow of all stations can be collectively predicted with multiple time steps ahead via a sequence to sequence(seq2seq) architecture. The proposed method is applied to the short-term forecasts of passenger flow in Shenzhen Metro, China. The experimental results show that MGC-RNN outperforms the benchmark algorithms in terms of forecasting accuracy. Besides, it is found that the inter-station driven by network distance, network structure, and recent flow patterns are significant factors for passenger flow forecasting. Moreover, the architecture of LSTM-encoder-decoder can capture the temporal dependencies well. In general, the proposed framework could provide multiple views of passenger flow dynamics for fine prediction and exhibit a possibility for multi-source heterogeneous data fusion in the spatiotemporal forecast tasks.

Progress in natural language processing research is catalyzed by the possibilities given by the widespread software frameworks. This paper introduces Adaptor library that transposes the traditional model-centric approach composed of pre-training + fine-tuning steps to objective-centric approach, composing the training process by applications of selected objectives. We survey research directions that can benefit from enhanced objective-centric experimentation in multitask training, custom objectives development, dynamic training curricula, or domain adaptation. Adaptor aims to ease reproducibility of these research directions in practice. Finally, we demonstrate the practical applicability of Adaptor in selected unsupervised domain adaptation scenarios.

Decoding stimuli or behaviour from recorded neural activity is a common approach to interrogate brain function in research, and an essential part of brain-computer and brain-machine interfaces. Reliable decoding even from small neural populations is possible because high dimensional neural population activity typically occupies low dimensional manifolds that are discoverable with suitable latent variable models. Over time however, drifts in activity of individual neurons and instabilities in neural recording devices can be substantial, making stable decoding over days and weeks impractical. While this drift cannot be predicted on an individual neuron level, population level variations over consecutive recording sessions such as differing sets of neurons and varying permutations of consistent neurons in recorded data may be learnable when the underlying manifold is stable over time. Classification of consistent versus unfamiliar neurons across sessions and accounting for deviations in the order of consistent recording neurons in recording datasets over sessions of recordings may then maintain decoding performance. In this work we show that self-supervised training of a deep neural network can be used to compensate for this inter-session variability. As a result, a sequential autoencoding model can maintain state-of-the-art behaviour decoding performance for completely unseen recording sessions several days into the future. Our approach only requires a single recording session for training the model, and is a step towards reliable, recalibration-free brain computer interfaces.

Machine Learning models are used in a wide variety of domains. However, machine learning methods often require a large amount of data in order to be successful. This is especially troublesome in domains where collecting real-world data is difficult and/or expensive. Data simulators do exist for many of these domains, but they do not sufficiently reflect the real world data due to factors such as a lack of real-world noise. Recently generative adversarial networks (GANs) have been modified to refine simulated image data into data that better fits the real world distribution, using the SimGAN method. While evolutionary computing has been used for GAN evolution, there are currently no frameworks that can evolve a SimGAN. In this paper we (1) extend the SimGAN method to refine one-dimensional data, (2) modify Easy Cartesian Genetic Programming (ezCGP), an evolutionary computing framework, to create SimGANs that more accurately refine simulated data, and (3) create new feature-based quantitative metrics to evaluate refined data. We also use our framework to augment an electrocardiogram (ECG) dataset, a domain that suffers from the issues previously mentioned. In particular, while healthy ECGs can be simulated there are no current simulators of abnormal ECGs. We show that by using an evolved SimGAN to refine simulated healthy ECG data to mimic real-world abnormal ECGs, we can improve the accuracy of abnormal ECG classifiers.

Combinatorial Optimisation problems arise in several application domains and are often formulated in terms of graphs. Many of these problems are NP-hard, but exact solutions are not always needed. Several heuristics have been developed to provide near-optimal solutions; however, they do not typically scale well with the size of the graph. We propose a low-complexity approach for identifying a (possibly much smaller) subgraph of the original graph where the heuristics can be run in reasonable time and with a high likelihood of finding a global near-optimal solution. The core component of our approach is LeNSE, a reinforcement learning algorithm that learns how to navigate the space of possible subgraphs using an Euclidean subgraph embedding as its map. To solve CO problems, LeNSE is provided with a discriminative embedding trained using any existing heuristics using only on a small portion of the original graph. When tested on three problems (vertex cover, max-cut and influence maximisation) using real graphs with up to $10$ million edges, LeNSE identifies small subgraphs yielding solutions comparable to those found by running the heuristics on the entire graph, but at a fraction of the total run time.

The problem of synchronization over a group $\mathcal{G}$ aims to estimate a collection of group elements $G^*_1, \dots, G^*_n \in \mathcal{G}$ based on noisy observations of a subset of all pairwise ratios of the form $G^*_i {G^*_j}^{-1}$. Such a problem has gained much attention recently and finds many applications across a wide range of scientific and engineering areas. In this paper, we consider the class of synchronization problems in which the group is a closed subgroup of the orthogonal group. This class covers many group synchronization problems that arise in practice. Our contribution is fivefold. First, we propose a unified approach for solving this class of group synchronization problems, which consists of a suitable initialization step and an iterative refinement step based on the generalized power method, and show that it enjoys a strong theoretical guarantee on the estimation error under certain assumptions on the group, measurement graph, noise, and initialization. Second, we formulate two geometric conditions that are required by our approach and show that they hold for various practically relevant subgroups of the orthogonal group. The conditions are closely related to the error-bound geometry of the subgroup -- an important notion in optimization. Third, we verify the assumptions on the measurement graph and noise for standard random graph and random matrix models. Fourth, based on the classic notion of metric entropy, we develop and analyze a novel spectral-type estimator. Finally, we show via extensive numerical experiments that our proposed non-convex approach outperforms existing approaches in terms of computational speed, scalability, and/or estimation error.

In network applications, it has become increasingly common to obtain datasets in the form of multiple networks observed on the same set of subjects, where each network is obtained in a related but different experiment condition or application scenario. Such datasets can be modeled by multilayer networks where each layer is a separate network itself while different layers are associated and share some common information. The present paper studies community detection in a stylized yet informative inhomogeneous multilayer network model. In our model, layers are generated by different stochastic block models, the community structures of which are (random) perturbations of a common global structure while the connecting probabilities in different layers are not related. Focusing on the symmetric two block case, we establish minimax rates for both global estimation of the common structure and individualized estimation of layer-wise community structures. Both minimax rates have sharp exponents. In addition, we provide an efficient algorithm that is simultaneously asymptotic minimax optimal for both estimation tasks under mild conditions. The optimal rates depend on the parity of the number of most informative layers, a phenomenon that is caused by inhomogeneity across layers. The method is extended to handle multiple and potentially asymmetric community cases. We demonstrate its effectiveness on both simulated examples and a real multi-modal single-cell dataset.

With the recent prevalence of reinforcement learning (RL), there have been tremendous interests in utilizing RL for ads allocation in recommendation platforms (e.g., e-commerce and news feed sites). To achieve better allocation, the input of recent RL-based ads allocation methods is upgraded from point-wise single item to list-wise item arrangement. However, this also results in a high-dimensional space of state-action pairs, making it difficult to learn list-wise representations with good generalization ability. This further hinders the exploration of RL agents and causes poor sample efficiency. To address this problem, we propose a novel RL-based approach for ads allocation which learns better list-wise representations by leveraging task-specific signals on Meituan food delivery platform. Specifically, we propose three different auxiliary tasks based on reconstruction, prediction, and contrastive learning respectively according to prior domain knowledge on ads allocation. We conduct extensive experiments on Meituan food delivery platform to evaluate the effectiveness of the proposed auxiliary tasks. Both offline and online experimental results show that the proposed method can learn better list-wise representations and achieve higher revenue for the platform compared to the state-of-the-art baselines.

Existing deep convolutional neural network (CNN) architectures frequently rely upon batch normalization (BatchNorm) to effectively train the model. BatchNorm significantly improves model performance, but performs poorly with smaller batch sizes. To address this limitation, we propose kernel normalization and kernel normalized convolutional layers, and incorporate them into kernel normalized convolutional networks (KNConvNets) as the main building blocks. We implement KNConvNets corresponding to the state-of-the-art CNNs such as ResNet and DenseNet while forgoing BatchNorm layers. Through extensive experiments, we illustrate that KNConvNets consistently outperform their batch, group, and layer normalized counterparts in terms of both accuracy and convergence rate while maintaining competitive computational efficiency.

Improving the resilience of a network is a fundamental problem in network science, which protects the underlying system from natural disasters and malicious attacks. This is traditionally achieved via successive degree-preserving edge rewiring operations, with the major limitation of being transductive. Inductively solving graph-related tasks with sequential actions is accomplished by adopting graph neural networks (GNNs) coupled with reinforcement learning under the scenario with rich graph features. However, such frameworks cannot be directly applied to resilience tasks where only pure topological structure is available. In this case, GNNs can barely learn useful information, resulting in prohibitive difficulty in making actions for successively rewiring edges under a reinforcement learning context.In this paper, we study in depth the reasons why typical GNNs cause such failure. Based on this investigation, we propose \textbf{ResiNet}, the first end-to-end trainable inductive framework to discover \textbf{Resi}lient \textbf{Net}work topologies while balancing network utility. To this end, we reformulate resilience optimization as an MDP equipped with edge rewiring action space, and propose a pure topology-oriented variant of GNN called \textbf{Fi}lt\textbf{r}ation \textbf{e}nhanced \textbf{G}raph \textbf{N}eural \textbf{N}etwork (\textbf{FireGNN}), which can learn from graphs without rich features. Extensive experiments demonstrate that ResiNet achieves a near-optimal resilience gain on various graphs while balancing the utility, and outperforms existing approaches by a large margin.

Text clustering methods were traditionally incorporated into multi-document summarization (MDS) as a means for coping with considerable information repetition. Particularly, clusters were leveraged to indicate information saliency as well as to avoid redundancy. Such prior methods focused on clustering sentences, even though closely related sentences usually contain also non-aligned parts. In this work, we revisit the clustering approach, grouping together sub-sentential propositions, aiming at more precise information alignment. Specifically, our method detects salient propositions, clusters them into paraphrastic clusters, and generates a representative sentence for each cluster via text fusion. Our summarization method improves over the previous state-of-the-art MDS method in the DUC 2004 and TAC 2011 datasets, both in automatic ROUGE scores and human preference.

Time series anomaly detection is of critical importance for the reliable and efficient operation of real-world systems. Many anomaly detection models have been developed throughout the years based on various assumptions regarding anomaly characteristics. However, due to the complex nature of real-world data, different anomalies within a time series usually have diverse profiles supporting different anomaly assumptions, making it difficult to find a single anomaly detector that can consistently beat all other models. In this work, to harness the benefits of different base models, we assume that a pool of anomaly detection models is accessible and propose to utilize reinforcement learning to dynamically select a candidate model from these base models. Experiments on real-world data have been implemented. It is demonstrated that the proposed strategy can outperforms all baseline models in terms of overall performance.

Intrinsic motivation generates behaviors that do not necessarily lead to immediate reward, but help exploration and learning. Here we show that agents having the sole goal of maximizing occupancy of future actions and states, that is, moving and exploring on the long term, are capable of complex behavior without any reference to external rewards. We find that action-state path entropy is the only measure consistent with additivity and other intuitive properties of expected future action-state path occupancy. We provide analytical expressions that relate the optimal policy with the optimal state-value function, from where we prove uniqueness of the solution of the associated Bellman equation and convergence of our algorithm to the optimal state-value function. Using discrete and continuous state tasks, we show that `dancing', hide-and-seek and a basic form of altruistic behavior naturally result from entropy seeking without external rewards. Intrinsically motivated agents can objectively determine what states constitute rewards, exploiting them to ultimately maximize action-state path entropy.

In this work, we address the problem of solving complex collaborative robotic tasks subject to multiple varying parameters. Our approach combines simultaneous policy blending with system identification to create generalized policies that are robust to changes in system parameters. We employ a blending network whose state space relies solely on parameter estimates from a system identification technique. As a result, this blending network learns how to handle parameter changes instead of trying to learn how to solve the task for a generalized parameter set simultaneously. We demonstrate our scheme's ability on a collaborative robot and human itching task in which the human has motor impairments. We then showcase our approach's efficiency with a variety of system identification techniques when compared to standard domain randomization.

Spiking Neural Network (SNN), originating from the neural behavior in biology, has been recognized as one of the next-generation neural networks. Conventionally, SNNs can be obtained by converting from pre-trained Artificial Neural Networks (ANNs) by replacing the non-linear activation with spiking neurons without changing the parameters. In this work, we argue that simply copying and pasting the weights of ANN to SNN inevitably results in activation mismatch, especially for ANNs that are trained with batch normalization (BN) layers. To tackle the activation mismatch issue, we first provide a theoretical analysis by decomposing local conversion error to clipping error and flooring error, and then quantitatively measure how this error propagates throughout the layers using the second-order analysis. Motivated by the theoretical results, we propose a set of layer-wise parameter calibration algorithms, which adjusts the parameters to minimize the activation mismatch. Extensive experiments for the proposed algorithms are performed on modern architectures and large-scale tasks including ImageNet classification and MS COCO detection. We demonstrate that our method can handle the SNN conversion with batch normalization layers and effectively preserve the high accuracy even in 32 time steps. For example, our calibration algorithms can increase up to 65% accuracy when converting VGG-16 with BN layers.

There is a growing interest in applying machine learning techniques to healthcare. Recently, federated learning (FL) is gaining popularity since it allows researchers to train powerful models without compromising data privacy and security. However, the performance of existing FL approaches often deteriorates when encountering non-iid situations where there exist distribution gaps among clients, and few previous efforts focus on personalization in healthcare. In this article, we propose FedAP to tackle domain shifts and then obtain personalized models for local clients. FedAP learns the similarity between clients based on the statistics of the batch normalization layers while preserving the specificity of each client with different local batch normalization. Comprehensive experiments on five healthcare benchmarks demonstrate that FedAP achieves better accuracy compared to state-of-the-art methods (e.g., 10% accuracy improvement for PAMAP2) with faster convergence speed.

We study lossless acceleration for seq2seq generation with a novel decoding algorithm -- Aggressive Decoding. Unlike the previous efforts (e.g., non-autoregressive decoding) speeding up seq2seq generation at the cost of quality loss, our approach aims to yield the identical (or better) generation compared with autoregressive decoding but in a significant speedup, achieved by innovative cooperation of aggressive decoding and verification that are both efficient due to parallel computing. We propose two Aggressive Decoding paradigms for 2 kinds of seq2seq tasks: 1) For the seq2seq tasks whose inputs and outputs are highly similar (e.g., Grammatical Error Correction), we propose Input-guided Aggressive Decoding (IAD) that aggressively copies from the input sentence as drafted decoded tokens to verify in parallel; 2) For other general seq2seq tasks (e.g., Machine Translation), we propose Generalized Aggressive Decoding (GAD) that first employs an additional non-autoregressive decoding model for aggressive decoding and then verifies in parallel in the autoregressive manner. We test Aggressive Decoding on the most popular 6-layer Transformer model on GPU in multiple seq2seq tasks: 1) For IAD, we show that it can introduce a 7x-9x speedup for the Transformer in Grammatical Error Correction and Text Simplification tasks with the identical results as greedy decoding; 2) For GAD, we observe a 3x-5x speedup with the identical or even better quality in two important seq2seq tasks: Machine Translation and Abstractive Summarization. Moreover, Aggressive Decoding can benefit even more from stronger computing devices that are better at parallel computing. Given the lossless quality as well as significant and promising speedup, we believe Aggressive Decoding may potentially evolve into a de facto standard for efficient and lossless seq2seq generation in the near future.

This paper focuses on anomaly detection for multivariate time series data in large-scale fluid handling plants with dynamic components, such as power generation, water treatment, and chemical plants, where signals from various physical phenomena are observed simultaneously. In these plants, the need for anomaly detection techniques is increasing in order to reduce the cost of operation and maintenance, in view of a decline in the number of skilled engineers and a shortage of manpower. However, considering the complex behavior of high-dimensional signals and the demand for interpretability, the techniques constitute a major challenge. We introduce a Two-Stage AutoEncoder (TSAE) as an anomaly detection method suitable for such plants. This is a simple autoencoder architecture that makes anomaly detection more interpretable and more accurate, in which based on the premise that plant signals can be separated into two behaviors that have almost no correlation with each other, the signals are separated into long-term and short-term components in a stepwise manner, and the two components are trained independently to improve the inference capability for normal signals. Through experiments on two publicly available datasets of water treatment systems, we have confirmed the high detection performance, the validity of the premise, and that the model behavior was as intended, i.e., the technical effectiveness of TSAE.

In this work, to efficiently help escape the stationary and saddle points, we propose, analyze, and generalize a stochastic strategy performed as an operator for a first-order gradient descent algorithm in order to increase the target accuracy and reduce time consumption. Unlike existing algorithms, the proposed stochastic the strategy does not require any batches and sampling techniques, enabling efficient implementation and maintaining the initial first-order optimizer's convergence rate, but provides an incomparable improvement of target accuracy when optimizing the target functions. In short, the proposed strategy is generalized, applied to Adam, and validated via the decomposition of biomedical signals using Deep Matrix Fitting and another four peer optimizers. The validation results show that the proposed random strategy can be easily generalized for first-order optimizers and efficiently improve the target accuracy.

E-commerce platforms usually display a mixed list of ads and organic items in feed. One key problem is to allocate the limited slots in the feed to maximize the overall revenue as well as improve user experience, which requires a good model for user preference. Instead of modeling the influence of individual items on user behaviors, the arrangement signal models the influence of the arrangement of items and may lead to a better allocation strategy. However, most of previous strategies fail to model such a signal and therefore result in suboptimal performance. In addition, the percentage of ads exposed (PAE) is an important indicator in ads allocation. Excessive PAE hurts user experience while too low PAE reduces platform revenue. Therefore, how to constrain the PAE within a certain range while keeping personalized recommendation under the PAE constraint is a challenge. In this paper, we propose Cross Deep Q Network (Cross DQN) to extract the crucial arrangement signal by crossing the embeddings of different items and modeling the crossed sequence by multi-channel attention. Besides, we propose an auxiliary loss for batch-level constraint on PAE to tackle the above-mentioned challenge. Our model results in higher revenue and better user experience than state-of-the-art baselines in offline experiments. Moreover, our model demonstrates a significant improvement in the online A/B test and has been fully deployed on Meituan feed to serve more than 300 millions of customers.

Domain decomposition methods are widely used and effective in the approximation of solutions to partial differential equations. Yet the optimal construction of these methods requires tedious analysis and is often available only in simplified, structured-grid settings, limiting their use for more complex problems. In this work, we generalize optimized Schwarz domain decomposition methods to unstructured-grid problems, using Graph Convolutional Neural Networks (GCNNs) and unsupervised learning to learn optimal modifications at subdomain interfaces. A key ingredient in our approach is an improved loss function, enabling effective training on relatively small problems, but robust performance on arbitrarily large problems, with computational cost linear in problem size. The performance of the learned linear solvers is compared with both classical and optimized domain decomposition algorithms, for both structured- and unstructured-grid problems.

Multi-access edge computing (MEC) and network function virtualization (NFV) are promising technologies to support emerging IoT applications, especially those computation-intensive. In NFV-enabled MEC environment, service function chain (SFC), i.e., a set of ordered virtual network functions (VNFs), can be mapped on MEC servers. Mobile devices (MDs) can offload computation-intensive applications, which can be represented by SFCs, fully or partially to MEC servers for remote execution. This paper studies the partial offloading and SFC mapping joint optimization (POSMJO) problem in an NFV-enabled MEC system, where an incoming task can be partitioned into two parts, one for local execution and the other for remote execution. The objective is to minimize the average cost in the long term which is a combination of execution delay, MD's energy consumption, and usage charge for edge computing. This problem consists of two closely related decision-making steps, namely task partition and VNF placement, which is highly complex and quite challenging. To address this, we propose a cooperative dual-agent deep reinforcement learning (CDADRL) algorithm, where we design a framework enabling interaction between two agents. Simulation results show that the proposed algorithm outperforms three combinations of deep reinforcement learning algorithms in terms of cumulative and average episodic rewards and it overweighs a number of baseline algorithms with respect to execution delay, energy consumption, and usage charge.

Graph-based semi-supervised learning methods combine the graph structure and labeled data to classify unlabeled data. In this work, we study the effect of a noisy oracle on classification. In particular, we derive the Maximum A Posteriori (MAP) estimator for clustering a Degree Corrected Stochastic Block Model (DC-SBM) when a noisy oracle reveals a fraction of the labels. We then propose an algorithm derived from a continuous relaxation of the MAP, and we establish its consistency. Numerical experiments show that our approach achieves promising performance on synthetic and real data sets, even in the case of very noisy labeled data.

Multivariate Time Series Forecasting focuses on the prediction of future values based on historical context. State-of-the-art sequence-to-sequence models rely on neural attention between timesteps, which allows for temporal learning but fails to consider distinct spatial relationships between variables. In contrast, methods based on graph neural networks explicitly model variable relationships. However, these methods often rely on predefined graphs and perform separate spatial and temporal updates without establishing direct connections between each variable at every timestep. This paper addresses these problems by translating multivariate forecasting into a spatiotemporal sequence formulation where each Transformer input token represents the value of a single variable at a given time. Long-Range Transformers can then learn interactions between space, time, and value information jointly along this extended sequence. Our method, which we call Spacetimeformer, achieves competitive results on benchmarks from traffic forecasting to electricity demand and weather prediction while learning fully-connected spatiotemporal relationships purely from data.

Predicting how a drug-like molecule binds to a specific protein target is a core problem in drug discovery. An extremely fast computational binding method would enable key applications such as fast virtual screening or drug engineering. Existing methods are computationally expensive as they rely on heavy candidate sampling coupled with scoring, ranking, and fine-tuning steps. We challenge this paradigm with EquiBind, an SE(3)-equivariant geometric deep learning model performing direct-shot prediction of both i) the receptor binding location (blind docking) and ii) the ligand's bound pose and orientation. EquiBind achieves significant speed-ups and better quality compared to traditional and recent baselines. Further, we show extra improvements when coupling it with existing fine-tuning techniques at the cost of increased running time. Finally, we propose a novel and fast fine-tuning model that adjusts torsion angles of a ligand's rotatable bonds based on closed-form global minima of the von Mises angular distance to a given input atomic point cloud, avoiding previous expensive differential evolution strategies for energy minimization.

Graph Neural Networks (GNNs) have become the state-of-the-art method for many applications on graph structured data. GNNs are a model for graph representation learning, which aims at learning to generate low dimensional node embeddings that encapsulate structural and feature-related information. GNNs are usually trained in an end-to-end fashion, leading to highly specialized node embeddings. While this approach achieves great results in the single-task setting, the generation of node embeddings that can be used to perform multiple tasks (with performance comparable to single-task models) is still an open problem. We propose the use of meta-learning to allow the training of a GNN model capable of producing multi-task node embeddings. In particular, we exploit the properties of optimization-based meta-learning to learn GNNs that can produce general node representations by learning parameters that can quickly (i.e. with a few steps of gradient descent) adapt to multiple tasks. Our experiments show that the embeddings produced by a model trained with our purposely designed meta-learning procedure can be used to perform multiple tasks with comparable or, surprisingly, even higher performance than both single-task and multi-task end-to-end models.

In cooperative multi-agent tasks, a team of agents jointly interact with an environment by taking actions, receiving a team reward and observing the next state. During the interactions, the uncertainty of environment and reward will inevitably induce stochasticity in the long-term returns and the randomness can be exacerbated with the increasing number of agents. However, such randomness is ignored by most of the existing value-based multi-agent reinforcement learning (MARL) methods, which only model the expectation of Q-value for both individual agents and the team. Compared to using the expectations of the long-term returns, it is preferable to directly model the stochasticity by estimating the returns through distributions. With this motivation, this work proposes a novel value-based MARL framework from a distributional perspective, \emph{i.e.}, parameterizing value function via \underline{M}ixture of \underline{C}ategorical distributions for MARL. Specifically, we model both individual Q-values and global Q-value with categorical distribution. To integrate categorical distributions, we define five basic operations on the distribution, which allow the generalization of expected value function factorization methods (\emph{e.g.}, VDN and QMIX) to their MCMARL variants. We further prove that our MCMARL framework satisfies \emph{Distributional-Individual-Global-Max} (DIGM) principle with respect to the expectation of distribution, which guarantees the consistency between joint and individual greedy action selections in the global Q-value and individual Q-values. Empirically, we evaluate MCMARL on both a stochastic matrix game and a challenging set of StarCraft II micromanagement tasks, showing the efficacy of our framework.

In past years, the minimax type single-level optimization formulation and its variations have been widely utilized to address Generative Adversarial Networks (GANs). Unfortunately, it has been proved that these alternating learning strategies cannot exactly reveal the intrinsic relationship between the generator and discriminator, thus easily result in a series of issues, including mode collapse, vanishing gradients and oscillations in the training phase, etc. In this work, by investigating the fundamental mechanism of GANs from the perspective of hierarchical optimization, we propose Best-Response Constraint (BRC), a general learning framework, that can explicitly formulate the potential dependency of the generator on the discriminator. Rather than adopting these existing time-consuming bilevel iterations, we design an implicit gradient scheme with outer-product Hessian approximation as our fast solution strategy. \emph{Noteworthy, we demonstrate that even with different motivations and formulations, a variety of existing GANs ALL can be uniformly improved by our flexible BRC methodology.} Extensive quantitative and qualitative experimental results verify the effectiveness, flexibility and stability of our proposed framework.

With the recent success of computer vision and deep learning, remarkable progress has been achieved on automatic personal recognition using vein biometrics. However, collecting large-scale real-world training data for palm vein recognition has turned out to be challenging, mainly due to the noise and irregular variations included at the time of acquisition. Meanwhile, existing palm vein recognition datasets are usually collected under near-infrared light, lacking detailed annotations on attributes (e.g., pose), so the influences of different attributes on vein recognition have been poorly investigated. Therefore, this paper examines the suitability of synthetic vein images generated to compensate for the urgent lack of publicly available large-scale datasets. Firstly, we present an overview of recent research progress on palm vein recognition, from the basic background knowledge to vein anatomical structure, data acquisition, public database, and quality assessment procedures. Then, we focus on the state-of-the-art methods that have allowed the generation of vascular structures for biometric purposes and the modeling of biological networks with their respective application domains. In addition, we review the existing research on the generation of style transfer and biological nature-based synthetic palm vein image algorithms. Afterward, we formalize a general flowchart for the creation of a synthetic database comparing real palm vein images and generated synthetic samples to obtain some understanding into the development of the realistic vein imaging system. Ultimately, we conclude by discussing the challenges, insights, and future perspectives in generating synthetic palm vein images for further works.

Several recent studies attempt to address the biological implausibility of the well-known backpropagation (BP) method. While promising methods such as feedback alignment, direct feedback alignment, and their variants like sign-concordant feedback alignment tackle BP's weight transport problem, their validity remains controversial owing to a set of other unsolved issues. In this work, we answer the question of whether it is possible to realize random backpropagation solely based on mechanisms observed in neuroscience. We propose a hypothetical framework consisting of a new microcircuit architecture and its supporting Hebbian learning rules. Comprising three types of cells and two types of synaptic connectivity, the proposed microcircuit architecture computes and propagates error signals through local feedback connections and supports the training of multi-layered spiking neural networks with a globally defined spiking error function. We employ the Hebbian rule operating in local compartments to update synaptic weights and achieve supervised learning in a biologically plausible manner. Finally, we interpret the proposed framework from an optimization point of view and show its equivalence to sign-concordant feedback alignment. The proposed framework is benchmarked on several datasets including MNIST and CIFAR10, demonstrating promising BP-comparable accuracy.

To explain NLP models, importance measures such as attention inform which inputs tokens are important for a prediction are popular. However, an open question is how well these explanations accurately reflect a model's logic, a property called faithfulness. To answer this question, we propose an new faithfulness benchmark called Recursive ROAR. This works by recursively masking allegedly important tokens and then retrain the model. The principle is, that this should result in worse model performance compared to masking random tokens. The result is a performance curve given a masking-ratio. Furthermore, we propose a summarizing metric using the area-between-curves, which allows for easy comparison across papers, models, and tasks. To provide a thorough review, we evaluate 4 different importance measures on 8 different datasets, using both LSTM-attention models and RoBERTa models. We find that the faithfulness of importance measures is both model-dependent and task-dependent. This conclusion contradicts previous evaluations in both computer vision and faithfulness of attention literature.

Transformer-based pre-trained models have revolutionized NLP for superior performance and generality. Fine-tuning pre-trained models for downstream tasks often require private data, for which federated learning is the de-facto approach (i.e., FedNLP). However, our measurements show that FedNLP is prohibitively slow due to the large model sizes and the resultant high network/computation cost. Towards practical FedNLP, we identify as the key building blocks adapters, small bottleneck modules inserted at a variety of model layers. A key challenge is to properly configure the depth and width of adapters, to which the training speed and efficiency is highly sensitive. No silver-bullet configuration exists: the optimal choice varies across downstream NLP tasks, desired model accuracy, and client resources. A silver-bullet configuration does not exist and a non-optimal configuration could significantly slow down the training. To automate adapter configuration, we propose AutoFedNLP, a framework that enhances the existing FedNLP with two novel designs. First, AutoFedNLP progressively upgrades the adapter configuration throughout a training session. Second, AutoFedNLP continuously profiles future adapter configurations by allocating participant devices to trial groups. To minimize client-side computations, AutoFedNLP exploits the fact that a FedNLP client trains on the same samples repeatedly between consecutive changes of adapter configurations, and caches computed activations on clients. Extensive experiments show that AutoFedNLP can reduce FedNLP's model convergence delay to no more than several hours, which is up to 155.5$\times$ faster compared to vanilla FedNLP and 48$\times$ faster compared to strong baselines.

Convolutional neural network (CNN) has achieved impressive success in computer vision during the past few decades. The image convolution operation helps CNNs to get good performance on image-related tasks. However, the image convolution has high computation complexity and hard to be implemented. This paper proposes the CEMNet, which can be trained in the frequency domain. The most important motivation of this research is that we can use the straightforward element-wise multiplication operation to replace the image convolution in the frequency domain based on the Cross-Correlation Theorem, which obviously reduces the computation complexity. We further introduce a Weight Fixation mechanism to alleviate the problem of over-fitting, and analyze the working behavior of Batch Normalization, Leaky ReLU, and Dropout in the frequency domain to design their counterparts for CEMNet. Also, to deal with complex inputs brought by Discrete Fourier Transform, we design a two-branches network structure for CEMNet. Experimental results imply that CEMNet achieves good performance on MNIST and CIFAR-10 databases.

In laboratory object recognition tasks based on undistorted photographs, both adult humans and Deep Neural Networks (DNNs) perform close to ceiling. Unlike adults', whose object recognition performance is robust against a wide range of image distortions, DNNs trained on standard ImageNet (1.3M images) perform poorly on distorted images. However, the last two years have seen impressive gains in DNN distortion robustness, predominantly achieved through ever-increasing large-scale datasets$\unicode{x2014}$orders of magnitude larger than ImageNet. While this simple brute-force approach is very effective in achieving human-level robustness in DNNs, it raises the question of whether human robustness, too, is simply due to extensive experience with (distorted) visual input during childhood and beyond. Here we investigate this question by comparing the core object recognition performance of 146 children (aged 4$\unicode{x2013}$15) against adults and against DNNs. We find, first, that already 4$\unicode{x2013}$6 year-olds showed remarkable robustness to image distortions and outperform DNNs trained on ImageNet. Second, we estimated the number of $\unicode{x201C}$images$\unicode{x201D}$ children have been exposed to during their lifetime. Compared to various DNNs, children's high robustness requires relatively little data. Third, when recognizing objects children$\unicode{x2014}$like adults but unlike DNNs$\unicode{x2014}$rely heavily on shape but not on texture cues. Together our results suggest that the remarkable robustness to distortions emerges early in the developmental trajectory of human object recognition and is unlikely the result of a mere accumulation of experience with distorted visual input. Even though current DNNs match human performance regarding robustness they seem to rely on different and more data-hungry strategies to do so.

A significant bottleneck in federated learning (FL) is the network communication cost of sending model updates from client devices to the central server. We present a comprehensive empirical study of the statistics of model updates in FL, as well as the role and benefits of various compression techniques. Motivated by these observations, we propose a novel method to reduce the average communication cost, which is near-optimal in many use cases, and outperforms Top-K, DRIVE, 3LC and QSGD on Stack Overflow next-word prediction, a realistic and challenging FL benchmark. This is achieved by examining the problem using rate-distortion theory, and proposing distortion as a reliable proxy for model accuracy. Distortion can be more effectively used for optimizing the trade-off between model performance and communication cost across clients. We demonstrate empirically that in spite of the non-i.i.d. nature of federated learning, the rate-distortion frontier is consistent across datasets, optimizers, clients and training rounds.

Variational Autoencoders (VAEs) have recently been highly successful at imputing and acquiring heterogeneous missing data. However, within this specific application domain, existing VAE methods are restricted by using only one layer of latent variables and strictly Gaussian posterior approximations. To address these limitations, we present HH-VAEM, a Hierarchical VAE model for mixed-type incomplete data that uses Hamiltonian Monte Carlo with automatic hyper-parameter tuning for improved approximate inference. Our experiments show that HH-VAEM outperforms existing baselines in the tasks of missing data imputation and supervised learning with missing features. Finally, we also present a sampling-based approach for efficiently computing the information gain when missing features are to be acquired with HH-VAEM. Our experiments show that this sampling-based approach is superior to alternatives based on Gaussian approximations.

Deep Reinforcement Learning has been very successful recently with various works on complex domains. Most works are concerned with learning a single policy that solves the target task, but is fixed in the sense that if the environment changes the agent is unable to adapt to it. Successor Features (SFs) proposes a mechanism that allows learning policies that are not tied to any particular reward function. In this work we investigate how SFs may be pre-trained without observing any reward in a custom environment that features resource collection, traps and crafting. After pre-training we expose the SF agents to various target tasks and see how well they can transfer to new tasks. Transferring is done without any further training on the SF agents, instead just by providing a task vector. For training the SFs we propose a task relabelling method which greatly improves the agent's performance.

In credit markets, screening algorithms aim to discriminate between good-type and bad-type borrowers. However, when doing so, they also often discriminate between individuals sharing a protected attribute (e.g. gender, age, racial origin) and the rest of the population. In this paper, we show how (1) to test whether there exists a statistically significant difference between protected and unprotected groups, which we call lack of fairness and (2) to identify the variables that cause the lack of fairness. We then use these variables to optimize the fairness-performance trade-off. Our framework provides guidance on how algorithmic fairness can be monitored by lenders, controlled by their regulators, and improved for the benefit of protected groups.

Learned self-attention functions in state-of-the-art NLP models often correlate with human attention. We investigate whether self-attention in large-scale pre-trained language models is as predictive of human eye fixation patterns during task-reading as classical cognitive models of human attention. We compare attention functions across two task-specific reading datasets for sentiment analysis and relation extraction. We find the predictiveness of large-scale pre-trained self-attention for human attention depends on `what is in the tail', e.g., the syntactic nature of rare contexts. Further, we observe that task-specific fine-tuning does not increase the correlation with human task-specific reading. Through an input reduction experiment we give complementary insights on the sparsity and fidelity trade-off, showing that lower-entropy attention vectors are more faithful.

Werewolf is a popular party game throughout the world, and research on its significance has progressed in recent years. The Werewolf game is based on conversation, and in order to win, participants must use all of their cognitive abilities. This communication game requires the playing agents to be very sophisticated to win. In this research, we generated a sophisticated agent to play the Werewolf game using a complex weighted ensemble learning approach. This research work aimed to estimate what other agents/players think of us in the game. The agent was developed by aggregating strategies of different participants in the AI Wolf competition and thereby learning from them using machine learning. Moreover, the agent created was able to perform much better than other competitors using very basic strategies to show the approach's effectiveness in the Werewolf game. The machine learning technique used here is not restricted to the Werewolf game but may be extended to any game that requires communication and action depending on other participants.

Efficient transformer variants with linear time complexity have been developed to mitigate the quadratic computational overhead of the vanilla transformer. Among them are low-rank projection methods such as Linformer and kernel-based Transformers. Despite their unique merits, they usually suffer from a performance drop comparing with the vanilla transformer on many sequence generation tasks, and often fail to obtain computation gain when the generation is short. We propose MemSizer, an approach towards closing the performance gap while improving the efficiency even with short generation. It projects the source sequences into lower dimension representations like Linformer, while enjoying efficient recurrent-style incremental computation similar to kernel-based transformers. This yields linear computation time and constant memory complexity at inference time. MemSizer also employs a lightweight multi-head mechanism which renders the computation as light as a single-head model. We demonstrate that MemSizer provides an improved balance between efficiency and accuracy over the vanilla transformer and other efficient transformer variants in three typical sequence generation tasks, including machine translation, abstractive text summarization, and language modeling.

Rule-based fine-grained IP geolocation methods are hard to generalize in computer networks which do not follow hypothetical rules. Recently, deep learning methods, like multi-layer perceptron (MLP), are tried to increase generalization capabilities. However, MLP is not so suitable for graph-structured data like networks. MLP treats IP addresses as isolated instances and ignores the connection information, which limits geolocation accuracy. In this work, we research how to increase the generalization capability with an emerging graph deep learning method - Graph Neural Network (GNN). First, IP geolocation is re-formulated as an attributed graph node regression problem. Then, we propose a GNN-based IP geolocation framework named GNN-Geo. GNN-Geo consists of a preprocessor, an encoder, messaging passing (MP) layers and a decoder. The preprocessor and encoder transform measurement data into the initial node embeddings. MP layers refine the initial node embeddings by modeling the connection information. The decoder maps the refined embeddings to nodes' locations and relieves the convergence problem of GNN by considering prior knowledge. The experiments in different real-world datasets show: the proposed GNN-Geo outperforms the state-of-art rule-based and learning-based baselines on all datasets w.r.t median error distance by 16% to 28%. This work verifies the great potential of GNN for fine-grained IP geolocation.

With the rise of the digital economy and an explosion of available information on consumers, effective personalization of offers, goods, and services has become a core business focus for companies to improve revenues and maintain competitive edge. This paper studies the personalization problem through the lens of policy learning, where the goal is to learn a decision-making rule (a policy) that maps from consumer and product characteristics (features) to recommendations (actions) in order to optimize outcomes (rewards). We focus on using available historical data for offline learning with unknown data collection procedure. Importantly, in many business and medical settings, interpretability of a policy is essential. To address these challenges, we study the class of policies with linear decision boundaries and propose learning algorithms using tools from causal inference. We propose several optimization schemes to solve the associated non-convex, non-smooth optimization problem, and find that an adapted Bayesian optimization algorithm is fast and effective. We test our algorithm with extensive simulation studies and apply it to an online marketplace customer purchase dataset, where the learned policy outputs a personalized discount recommendation based on customer and product features in order to maximize gross merchandise value (GMV) for sellers. Our learned policy improves upon the platform's baseline by 88.2\% in net sales revenue, while also providing informative insights on which features are important for the decision-making process, e.g. when "Attribute 2" is large, marginal increase in GMV is low for discounts higher than 10\%. Our findings suggest that the proposed policy learning algorithm provides a promising practical approach for interpretable personalization across a wide range of applications.

Machine learning models based on temporal point processes are the state of the art in a wide variety of applications involving discrete events in continuous time. However, these models lack the ability to answer counterfactual questions, which are increasingly relevant as these models are being used to inform targeted interventions. In this work, our goal is to fill this gap. To this end, we first develop a causal model of thinning for temporal point processes that builds upon the Gumbel-Max structural causal model. This model satisfies a desirable counterfactual monotonicity condition, which is sufficient to identify counterfactual dynamics in the process of thinning. Then, given an observed realization of a temporal point process with a given intensity function, we develop a sampling algorithm that uses the above causal model of thinning and the superposition theorem to simulate counterfactual realizations of the temporal point process under a given alternative intensity function. Simulation experiments using synthetic and real epidemiological data show that the counterfactual realizations provided by our algorithm may give valuable insights to enhance targeted interventions.

In this paper, we investigate the algorithmic stability of unsupervised representation learning with deep generative models, as a function of repeated re-training on the same input data. Algorithms for learning low dimensional linear representations -- for example principal components analysis (PCA), or linear independent components analysis (ICA) -- come with guarantees that they will always reveal the same latent representations (perhaps up to an arbitrary rotation or permutation). Unfortunately, for non-linear representation learning, such as in a variational auto-encoder (VAE) model trained by stochastic gradient descent, we have no such guarantees. Recent work on identifiability in non-linear ICA have introduced a family of deep generative models that have identifiable latent representations, achieved by conditioning on side information (e.g. informative labels). We empirically evaluate the stability of these models under repeated re-estimation of parameters, and compare them to both standard VAEs and deep generative models which learn to cluster in their latent space. Surprisingly, we discover side information is not necessary for algorithmic stability: using standard quantitative measures of identifiability, we find deep generative models with latent clusterings are empirically identifiable to the same degree as models which rely on auxiliary labels. We relate these results to the possibility of identifiable non-linear ICA.

We consider the problem of whether a Neural Network (NN) model satisfies global individual fairness. Individual Fairness suggests that similar individuals with respect to a certain task are to be treated similarly by the decision model. In this work, we have two main objectives. The first is to construct a verifier which checks whether the fairness property holds for a given NN in a classification task or provide a counterexample if it is violated, i.e., the model is fair if all similar individuals are classified the same, and unfair if a pair of similar individuals are classified differently. To that end, We construct a sound and complete verifier that verifies global individual fairness properties of ReLU NN classifiers using distance-based similarity metrics. The second objective of this paper is to provide a method for training provably fair NN classifiers from unfair (biased) data. We propose a fairness loss that can be used during training to enforce fair outcomes for similar individuals. We then provide provable bounds on the fairness of the resulting NN. We run experiments on commonly used fairness datasets that are publicly available and we show that global individual fairness can be improved by 96 % without significant drop in test accuracy.

Neural networks pose a privacy risk due to their propensity to memorise and leak training data. We show that unique features occurring only once in training data are memorised by discriminative multi-layer perceptrons and convolutional neural networks trained on benchmark imaging datasets. We design our method for settings where sensitive training data is not available, for example medical imaging. Our setting knows the unique feature, but not the training data, model weights or the unique feature's label. We develop a score estimating a model's sensitivity to a unique feature by comparing the KL divergences of the model's output distributions given modified out-of-distribution images. We find that typical strategies to prevent overfitting do not prevent unique feature memorisation. And that images containing a unique feature are highly influential, regardless of the influence the images's other features. We also find a significant variation in memorisation with training seed. These results imply that neural networks pose a privacy risk to rarely occurring private information. This risk is more pronounced in healthcare applications since sensitive patient information can be memorised when it remains in training data due to an imperfect data sanitisation process.

Deployed real-world machine learning applications are often subject to uncontrolled and even potentially malicious inputs. Those out-of-domain inputs can lead to unpredictable outputs and sometimes catastrophic safety issues. Prior studies on out-of-domain detection require in-domain task labels and are limited to supervised classification scenarios. Our work tackles the problem of detecting out-of-domain samples with only unsupervised in-domain data. We utilize the latent representations of pre-trained transformers and propose a simple yet effective method to transform features across all layers to construct out-of-domain detectors efficiently. Two domain-specific fine-tuning approaches are further proposed to boost detection accuracy. Our empirical evaluations of related methods on two datasets validate that our method greatly improves out-of-domain detection ability in a more general scenario.

Social chatbots, also known as chit-chat chatbots, evolve rapidly with large pretrained language models. Despite the huge progress, privacy concerns have arisen recently: training data of large language models can be extracted via model inversion attacks. On the other hand, the datasets used for training chatbots contain many private conversations between two individuals. In this work, we further investigate the privacy leakage of the hidden states of chatbots trained by language modeling which has not been well studied yet. We show that speakers' personas can be inferred through a simple neural network with high accuracy. To this end, we propose effective defense objectives to protect persona leakage from hidden states. We conduct extensive experiments to demonstrate that our proposed defense objectives can greatly reduce the attack accuracy from 37.6% to 0.5%. Meanwhile, the proposed objectives preserve language models' powerful generation ability.

Downtime of industrial assets such as wind turbines and medical imaging devices comes at a sharp cost. To avoid such downtime costs, companies seek to initiate maintenance just before failure. Unfortunately, this is challenging for the following two reasons: On the one hand, because asset failures are notoriously difficult to predict, even in the presence of real-time monitoring devices which signal early degradation. On the other hand, because the available resources to serve a network of geographically dispersed assets are typically limited. In this paper, we propose a novel dynamic traveling maintainer problem with alerts model that incorporates these two challenges and we provide three solution approaches on how to dispatch the limited resources. Namely, we propose: (i) Greedy heuristic approaches that rank assets on urgency, proximity and economic risk; (ii) A novel traveling maintainer heuristic approach that optimizes short-term costs; and (iii) A deep reinforcement learning (DRL) approach that optimizes long-term costs. Each approach has different requirements concerning the available alert information. Experiments with small asset networks show that all methods can approximate the optimal policy when given access to complete condition information. For larger networks, the proposed methods yield competitive policies, with DRL consistently achieving the lowest costs.

We study experiment design for the unique identification of the causal graph of a system where the graph may contain cycles. The presence of cycles in the structure introduces major challenges for experiment design. Unlike the case of acyclic graphs, learning the skeleton of the causal graph from observational distribution may not be possible. Furthermore, intervening on a variable does not necessarily lead to orienting all the edges incident to it. In this paper, we propose an experiment design approach that can learn both cyclic and acyclic graphs and hence, unifies the task of experiment design for both types of graphs. We provide a lower bound on the number of experiments required to guarantee the unique identification of the causal graph in the worst case, showing that the proposed approach is order-optimal in terms of the number of experiments up to an additive logarithmic term. Moreover, we extend our result to the setting where the size of each experiment is bounded by a constant. For this case, we show that our approach is optimal in terms of the size of the largest experiment required for the unique identification of the causal graph in the worst case.

Unsupervised clustering algorithms for vectors has been widely used in the area of machine learning. Many applications, including the biological data we studied in this paper, contain some boundary datapoints which show combination properties of two underlying clusters and could lower the performance of the traditional clustering algorithms. We develop a confident clustering method aiming to diminish the influence of these datapoints and improve the clustering results. Concretely, for a list of datapoints, we give two clustering results. The first-round clustering attempts to classify only pure vectors with high confidence. Based on it, we classify more vectors with less confidence in the second round. We validate our algorithm on single-cell RNA-seq data, which is a powerful and widely used tool in biology area. Our confident clustering shows a high accuracy on our tested datasets. In addition, unlike traditional clustering methods in single-cell analysis, the confident clustering shows high stability under different choices of parameters.

Recent advances in depth sensing technologies allow fast electronic maneuvering of the laser beam, as opposed to fixed mechanical rotations. This will enable future sensors, in principle, to vary in real-time the sampling pattern. We examine here the abstract problem of whether adapting the sampling pattern for a given frame can reduce the reconstruction error or allow a sparser pattern. We propose a constructive generic method to guide adaptive depth sampling algorithms. Given a sampling budget B, a depth predictor P and a desired quality measure M, we propose an Importance Map that highlights important sampling locations. This map is defined for a given frame as the per-pixel expected value of M produced by the predictor P, given a pattern of B random samples. This map can be well estimated in a training phase. We show that a neural network can learn to produce a highly faithful Importance Map, given an RGB image. We then suggest an algorithm to produce a sampling pattern for the scene, which is denser in regions that are harder to reconstruct. The sampling strategy of our modular framework can be adjusted according to hardware limitations, type of depth predictor, and any custom reconstruction error measure that should be minimized. We validate through simulations that our approach outperforms grid and random sampling patterns as well as recent state-of-the-art adaptive algorithms.

Deep learning (DL) has shown great potential in digital pathology applications. The robustness of a diagnostic DL-based solution is essential for safe clinical deployment. In this work we evaluate if adding uncertainty estimates for DL predictions in digital pathology could result in increased value for the clinical applications, by boosting the general predictive performance or by detecting mispredictions. We compare the effectiveness of model-integrated methods (MC dropout and Deep ensembles) with a model-agnostic approach (Test time augmentation, TTA). Moreover, four uncertainty metrics are compared. Our experiments focus on two domain shift scenarios: a shift to a different medical center and to an underrepresented subtype of cancer. Our results show that uncertainty estimates increase reliability by reducing a model's sensitivity to classification threshold selection as well as by detecting between 70\% and 90\% of the mispredictions done by the model. Overall, the deep ensembles method achieved the best performance closely followed by TTA.

We present the extension of the Remember and Forget for Experience Replay (ReF-ER) algorithm to Multi-Agent Reinforcement Learning (MARL). {ReF-ER} was shown to outperform state of the art algorithms for continuous control in problems ranging from the OpenAI Gym to complex fluid flows. In MARL, the dependencies between the agents are included in the state-value estimator and the environment dynamics are modeled via the importance weights used by ReF-ER. In collaborative environments, we find the best performance when the value is estimated using individual rewards and we ignore the effects of other actions on the transition map. We benchmark the performance of ReF-ER MARL on the Stanford Intelligent Systems Laboratory (SISL) environments. We find that employing a single feed-forward neural network for the policy and the value function in ReF-ER MARL, outperforms state of the art algorithms that rely on complex neural network architectures.

Multi-Task Learning (MTL) is a powerful learning paradigm to improve generalization performance via knowledge sharing. However, existing studies find that MTL could sometimes hurt generalization, especially when two tasks are less correlated. One possible reason that hurts generalization is spurious correlation, i.e., some knowledge is spurious and not causally related to task labels, but the model could mistakenly utilize them and thus fail when such correlation changes. In MTL setup, there exist several unique challenges of spurious correlation. First, the risk of having non-causal knowledge is higher, as the shared MTL model needs to encode all knowledge from different tasks, and causal knowledge for one task could be potentially spurious to the other. Second, the confounder between task labels brings in a different type of spurious correlation to MTL. We theoretically prove that MTL is more prone to taking non-causal knowledge from other tasks than single-task learning, and thus generalize worse. To solve this problem, we propose Multi-Task Causal Representation Learning framework, aiming to represent multi-task knowledge via disentangled neural modules, and learn which module is causally related to each task via MTL-specific invariant regularization. Experiments show that it could enhance MTL model's performance by 5.5% on average over Multi-MNIST, MovieLens, Taskonomy, CityScape, and NYUv2, via alleviating spurious correlation problem.

Contemporary deep neural networks offer state-of-the-art results when applied to visual reasoning, e.g., in the context of 3D point cloud data. Point clouds are important datatype for precise modeling of three-dimensional environments, but effective processing of this type of data proves to be challenging. In the world of large, heavily-parameterized network architectures and continuously-streamed data, there is an increasing need for machine learning models that can be trained on additional data. Unfortunately, currently available models cannot fully leverage training on additional data without losing their past knowledge. Combating this phenomenon, called catastrophic forgetting, is one of the main objectives of continual learning. Continual learning for deep neural networks has been an active field of research, primarily in 2D computer vision, natural language processing, reinforcement learning, and robotics. However, in 3D computer vision, there are hardly any continual learning solutions specifically designed to take advantage of point cloud structure. This work proposes a novel neural network architecture capable of continual learning on 3D point cloud data. We utilize point cloud structure properties for preserving a heavily compressed set of past data. By using rehearsal and reconstruction as regularization methods of the learning process, our approach achieves a significant decrease of catastrophic forgetting compared to the existing solutions on several most popular point cloud datasets considering two continual learning settings: when a task is known beforehand, and in the challenging scenario of when task information is unknown to the model.

The Annals of Joseon Dynasty (AJD) contain the daily records of the Kings of Joseon, the 500-year kingdom preceding the modern nation of Korea. The Annals were originally written in an archaic Korean writing system, `Hanja', and translated into Korean from 1968 to 1993. However, this translation was literal and contained many archaic Korean words; thus, a new expert translation effort began in 2012, completing the records of only one king in a decade. Also, expert translators are working on an English translation, of which only one king's records are available because of the high cost and slow progress. Thus, we propose H2KE, the neural machine translation model that translates Hanja historical documents to understandable Korean and English. Based on the multilingual neural machine translation approach, it translates the historical document written in Hanja, using both the full dataset of outdated Korean translation and a small dataset of recently translated Korean and English. We compare our method with two baselines: one is a recent model that simultaneously learns to restore and translate Hanja historical document and the other is the transformer that trained on newly translated corpora only. The results show that our method significantly outperforms the baselines in terms of BLEU score in both modern Korean and English translations. We also conduct a human evaluation that shows that our translation is preferred over the original expert translation.

Classification is often the first problem described in introductory machine learning classes. Generalization guarantees of classification have historically been offered by Vapnik-Chervonenkis theory. Yet those guarantees are based on intractable algorithms, which has led to the theory of surrogate methods in classification. Guarantees offered by surrogate methods are based on calibration inequalities, which have been shown to be highly sub-optimal under some margin conditions, failing short to capture exponential convergence phenomena. Those "super" fast rates are becoming to be well understood for smooth surrogates, but the picture remains blurry for non-smooth losses such as the hinge loss, associated with the renowned support vector machines. In this paper, we present a simple mechanism to obtain fast convergence rates and we investigate its usage for SVM. In particular, we show that SVM can exhibit exponential convergence rates even without assuming the hard Tsybakov margin condition.

Clinical Text Notes (CTNs) contain physicians' reasoning process, written in an unstructured free text format, as they examine and interview patients. In recent years, several studies have been published that provide evidence for the utility of machine learning for predicting doctors' diagnoses from CTNs, a task known as ICD coding. Data annotation is time consuming, particularly when a degree of specialization is needed, as is the case for medical data. This paper presents a method of augmenting a sparsely annotated dataset of Icelandic CTNs with a machine-learned imputation in a semi-self-supervised manner. We train a neural network on a small set of annotated CTNs and use it to extract clinical features from a set of un-annotated CTNs. These clinical features consist of answers to about a thousand potential questions that a physician might find the answers to during a consultation of a patient. The features are then used to train a classifier for the diagnosis of certain types of diseases. We report the results of an evaluation of this data augmentation method over three tiers of data availability to the physician. Our data augmentation method shows a significant positive effect which is diminished when clinical features from the examination of the patient and diagnostics are made available. We recommend our method for augmenting scarce datasets for systems that take decisions based on clinical features that do not include examinations or tests.

Deep reinforcement learning (DRL) has attracted much attention as an approach to solve sequential decision making problems without mathematical models of systems or environments. In general, a constraint may be imposed on a decision making. In this study, we consider the optimal decision making problems with constraints to complete temporal high-level tasks in the continuous state-action domain. We describe the constraints using signal temporal logic (STL), which is useful for time sensitive control tasks since it can specify continuous signals within a bounded time interval. To deal with the STL constraints, we introduce an extended constrained Markov decision process (CMDP), which is called a $\tau$-CMDP. We formulate the STL constrained optimal decision making problem as the $\tau$-CMDP and propose a two-phase constrained DRL algorithm using the Lagrangian relaxation method. Through simulations, we also demonstrate the learning performance of the proposed algorithm.

Humans and animals can learn new skills after practicing for a few hours, while current reinforcement learning algorithms require a large amount of data to achieve good performances. Recent model-based approaches show promising results by reducing the number of necessary interactions with the environment to learn a desirable policy. However, these methods require biological implausible ingredients, such as the detailed storage of older experiences, and long periods of offline learning. The optimal way to learn and exploit word-models is still an open question. Taking inspiration from biology, we suggest that dreaming might be an efficient expedient to use an inner model. We propose a two-module (agent and model) neural network in which "dreaming" (living new experiences in a model-based simulated environment) significantly boosts learning. We also explore "planning", an online alternative to dreaming, that shows comparable performances. Importantly, our model does not require the detailed storage of experiences, and learns online the world-model. This is a key ingredient for biological plausibility and implementability (e.g., in neuromorphic hardware). Our network is composed of spiking neurons, further increasing the energetic efficiency and the plausibility of the model. To our knowledge, there are no previous works proposing biologically plausible model-based reinforcement learning in recurrent spiking networks. Our work is a step toward building efficient neuromorphic systems for autonomous robots, capable of learning new skills in real-world environments. Even when the environment is no longer accessible, the robot optimizes learning by "reasoning" in its own "mind". These approaches are of great relevance when the acquisition from the environment is slow, expensive (robotics) or unsafe (autonomous driving).

Automatic speaker verification (ASV), one of the most important technology for biometric identification, has been widely adopted in security-critical applications. However, ASV is seriously vulnerable to recently emerged adversarial attacks, yet effective countermeasures against them are limited. In this paper, we adopt neural vocoders to spot adversarial samples for ASV. We use the neural vocoder to re-synthesize audio and find that the difference between the ASV scores for the original and re-synthesized audio is a good indicator for discrimination between genuine and adversarial samples. This effort is, to the best of our knowledge, among the first to pursue such a technical direction for detecting time-domain adversarial samples for ASV, and hence there is a lack of established baselines for comparison. Consequently, we implement the Griffin-Lim algorithm as the detection baseline. The proposed approach achieves effective detection performance that outperforms the baselines in all the settings. We also show that the neural vocoder adopted in the detection framework is dataset-independent. Our codes will be made open-source for future works to do fair comparison.

Since electromagnetic signals are omnipresent, Radio Frequency (RF)-sensing has the potential to become a universal sensing mechanism with applications in localization, smart-home, retail, gesture recognition, intrusion detection, etc. Two emerging technologies in RF-sensing, namely sensing through Large Intelligent Surfaces (LISs) and mmWave Frequency-Modulated Continuous-Wave (FMCW) radars, have been successfully applied to a wide range of applications. In this work, we compare LIS and mmWave radars for localization in real-world and simulated environments. In our experiments, the mmWave radar achieves 0.71 Intersection Over Union (IOU) and 3cm error for bounding boxes, while LIS has 0.56 IOU and 10cm distance error. Although the radar outperforms the LIS in terms of accuracy, LIS features additional applications in communication in addition to sensing scenarios.

Obtaining the human-like perception ability of abstracting visual concepts from concrete pixels has always been a fundamental and important target in machine learning research fields such as disentangled representation learning and scene decomposition. Towards this goal, we propose an unsupervised transformer-based Visual Concepts Tokenization framework, dubbed VCT, to perceive an image into a set of disentangled visual concept tokens, with each concept token responding to one type of independent visual concept. Particularly, to obtain these concept tokens, we only use cross-attention to extract visual information from the image tokens layer by layer without self-attention between concept tokens, preventing information leakage across concept tokens. We further propose a Concept Disentangling Loss to facilitate that different concept tokens represent independent visual concepts. The cross-attention and disentangling loss play the role of induction and mutual exclusion for the concept tokens, respectively. Extensive experiments on several popular datasets verify the effectiveness of VCT on the tasks of disentangled representation learning and scene decomposition. VCT achieves the state of the art results by a large margin.

Dyson spheres are hypothetical megastructures encircling stars in order to harvest most of their energy output. During the 11th edition of the GTOC challenge, participants were tasked with a complex trajectory planning related to the construction of a precursor Dyson structure, a heliocentric ring made of twelve stations. To this purpose, we developed several new approaches that synthesize techniques from machine learning, combinatorial optimization, planning and scheduling, and evolutionary optimization effectively integrated into a fully automated pipeline. These include a machine learned transfer time estimator, improving the established Edelbaum approximation and thus better informing a Lazy Race Tree Search to identify and collect asteroids with high arrival mass for the stations; a series of optimally-phased low-thrust transfers to all stations computed by indirect optimization techniques, exploiting the synodic periodicity of the system; and a modified Hungarian scheduling algorithm, which utilizes evolutionary techniques to arrange a mass-balanced arrival schedule out of all transfer possibilities. We describe the steps of our pipeline in detail with a special focus on how our approaches mutually benefit from each other. Lastly, we outline and analyze the final solution of our team, ACT&Friends, which ranked second at the GTOC 11 challenge.

In lifelong learning systems based on artificial neural networks, one of the biggest obstacles is the inability to retain old knowledge as new information is encountered. This phenomenon is known as catastrophic forgetting. In this paper, we propose a new kind of connectionist architecture, the Sequential Neural Coding Network, that is robust to forgetting when learning from streams of data points and, unlike networks of today, does not learn via the popular back-propagation of errors. Grounded in the neurocognitive theory of predictive processing, our model adapts synapses in a biologically-plausible fashion while another neural system learns to direct and control this cortex-like structure by mimicking some of task-executive control functionality of the basal ganglia. In our experiments, we demonstrate that our self-organizing system experiences significantly less forgetting compared to standard neural models, outperforming a swath of previously proposed methods, including rehearsal/data buffer-based methods, on both standard (SplitMNIST, Split Fashion MNIST, etc.) and custom benchmarks even though it is trained in a stream-like fashion. Our work offers evidence that emulating mechanisms in real neuronal systems, e.g., local learning, lateral competition, can yield new directions for tackling the grand challenge of lifelong machine learning.

We propose a novel low-rank initialization framework for training low-rank deep neural networks -- networks where the weight parameters are re-parameterized by products of two low-rank matrices. The most successful prior existing approach, spectral initialization, draws a sample from the initialization distribution for the full-rank setting and then optimally approximates the full-rank initialization parameters in the Frobenius norm with a pair of low-rank initialization matrices via singular value decomposition. Our method is inspired by the insight that approximating the function corresponding to each layer is more important than approximating the parameter values. We provably demonstrate that there is a significant gap between these two approaches for ReLU networks, particularly as the desired rank of the approximating weights decreases, or as the dimension of the inputs to the layer increases (the latter point holds when the network width is super-linear in dimension). Along the way, we provide the first provably efficient algorithm for solving the ReLU low-rank approximation problem for fixed parameter rank $r$ -- previously, it was unknown that the problem was computationally tractable to solve even for rank $1$. We also provide a practical algorithm to solve this problem which is no more expensive than the existing spectral initialization approach, and validate our theory by training ResNet and EfficientNet models (He et al., 2016; Tan & Le, 2019) on ImageNet (Russakovsky et al., 2015).

There is a broad consensus on the importance of deep learning models in tasks involving complex data. Often, an adequate understanding of these models is required when focusing on the transparency of decisions in human-critical applications. Besides other explainability techniques, trustworthiness can be achieved by using counterfactuals, like the way a human becomes familiar with an unknown process: by understanding the hypothetical circumstances under which the output changes. In this work we argue that automated counterfactual generation should regard several aspects of the produced adversarial instances, not only their adversarial capability. To this end, we present a novel framework for the generation of counterfactual examples which formulates its goal as a multi-objective optimization problem balancing three different objectives: 1) plausibility, i.e., the likeliness of the counterfactual of being possible as per the distribution of the input data; 2) intensity of the changes to the original input; and 3) adversarial power, namely, the variability of the model's output induced by the counterfactual. The framework departs from a target model to be audited and uses a Generative Adversarial Network to model the distribution of input data, together with a multi-objective solver for the discovery of counterfactuals balancing among these objectives. The utility of the framework is showcased over six classification tasks comprising image and three-dimensional data. The experiments verify that the framework unveils counterfactuals that comply with intuition, increasing the trustworthiness of the user, and leading to further insights, such as the detection of bias and data misrepresentation.

Deep learning is increasingly moving towards a transfer learning paradigm whereby large foundation models are fine-tuned on downstream tasks, starting from an initialization learned on the source task. But an initialization contains relatively little information about the source task. Instead, we show that we can learn highly informative posteriors from the source task, through supervised or self-supervised approaches, which then serve as the basis for priors that modify the whole loss surface on the downstream task. This simple modular approach enables significant performance gains and more data-efficient learning on a variety of downstream classification and segmentation tasks, serving as a drop-in replacement for standard pre-training strategies. These highly informative priors also can be saved for future use, similar to pre-trained weights, and stand in contrast to the zero-mean isotropic uninformative priors that are typically used in Bayesian deep learning.

We study node representation learning on heterogeneous text-rich networks, where nodes and edges are multi-typed and some types of nodes are associated with text information. Although recent studies on graph neural networks (GNNs) and pretrained language models (PLMs) have demonstrated their power in encoding network and text signals, respectively, less focus has been given to delicately coupling these two types of models on heterogeneous text-rich networks. Specifically, existing GNNs rarely model text in each node in a contextualized way; existing PLMs can hardly be applied to characterize graph structures due to their sequence architecture. In this paper, we propose Heterformer, a Heterogeneous GNN-nested transformer that blends GNNs and PLMs into a unified model. Different from previous "cascaded architectures" that directly add GNN layers upon a PLM, our Heterformer alternately stacks two modules - a graph-attention-based neighbor aggregation module and a transformer-based text and neighbor joint encoding module - to facilitate thorough mutual enhancement between network and text signals. Meanwhile, Heterformer is capable of characterizing network heterogeneity and nodes without text information. Comprehensive experiments on three large-scale datasets from different domains demonstrate the superiority of Heterformer over state-of-the-art baselines in link prediction, transductive/inductive node classification, node clustering, and semantics-based retrieval.

Meta-learning approaches enable machine learning systems to adapt to new tasks given few examples by leveraging knowledge from related tasks. However, a large number of meta-training tasks are still required for generalization to unseen tasks during meta-testing, which introduces a critical bottleneck for real-world problems that come with only few tasks, due to various reasons including the difficulty and cost of constructing tasks. Recently, several task augmentation methods have been proposed to tackle this issue using domain-specific knowledge to design augmentation techniques to densify the meta-training task distribution. However, such reliance on domain-specific knowledge renders these methods inapplicable to other domains. While Manifold Mixup based task augmentation methods are domain-agnostic, we empirically find them ineffective on non-image domains. To tackle these limitations, we propose a novel domain-agnostic task augmentation method, Meta-Interpolation, which utilizes expressive neural set functions to densify the meta-training task distribution using bilevel optimization. We empirically validate the efficacy of Meta-Interpolation on eight datasets spanning across various domains such as image classification, molecule property prediction, text classification and speech recognition. Experimentally, we show that Meta-Interpolation consistently outperforms all the relevant baselines. Theoretically, we prove that task interpolation with the set function regularizes the meta-learner to improve generalization.

We study sampling problems associated with non-convex potentials that meanwhile lack smoothness. In particular, we consider target distributions that satisfy either logarithmic-Sobolev inequality or Poincar\'e inequality. Rather than smooth, the potentials are assumed to be semi-smooth or the summation of multiple semi-smooth functions. We develop a sampling algorithm that resembles proximal algorithms in optimization for this challenging sampling task. Our algorithm is based on a special case of Gibbs sampling known as the alternating sampling framework (ASF). The key contribution of this work is a practical realization of the ASF based on rejection sampling in the non-convex and semi-smooth setting. This work extends the recent algorithm in \cite{LiaChe21,LiaChe22} for non-smooth/semi-smooth log-concave distribution to the setting with non-convex potentials. In almost all the cases of sampling considered in this work, our proximal sampling algorithm achieves better complexity than all existing methods.

Video prediction is a challenging task. The quality of video frames from current state-of-the-art (SOTA) generative models tends to be poor and generalization beyond the training data is difficult. Furthermore, existing prediction frameworks are typically not capable of simultaneously handling other video-related tasks such as unconditional generation or interpolation. In this work, we devise a general-purpose framework called Masked Conditional Video Diffusion (MCVD) for all of these video synthesis tasks using a probabilistic conditional score-based denoising diffusion model, conditioned on past and/or future frames. We train the model in a manner where we randomly and independently mask all the past frames or all the future frames. This novel but straightforward setup allows us to train a single model that is capable of executing a broad range of video tasks, specifically: future/past prediction -- when only future/past frames are masked; unconditional generation -- when both past and future frames are masked; and interpolation -- when neither past nor future frames are masked. Our experiments show that this approach can generate high-quality frames for diverse types of videos. Our MCVD models are built from simple non-recurrent 2D-convolutional architectures, conditioning on blocks of frames and generating blocks of frames. We generate videos of arbitrary lengths autoregressively in a block-wise manner. Our approach yields SOTA results across standard video prediction and interpolation benchmarks, with computation times for training models measured in 1-12 days using $\le$ 4 GPUs. https://mask-cond-video-diffusion.github.io

Since February-2020, the world has embarked on an intense struggle with the COVID-19 disease, and health systems have come under a tragic pressure as the disease turned into a pandemic. The aim of this study is to determine the most effective routine-blood-values (RBV) in the diagnosis/prognosis of COVID-19 using new feature selection method for LogNNet reservoir neural network. First dataset in this study consists of a total of 5296-patients with a same number of negative and positive covid test. Second dataset consists of a total of 3899-patients with a diagnosis of COVID-19, who were treated in hospital with severe-infected (203) and mildly-infected (3696). The most important RBVs that affect the diagnosis of the disease from the first dataset were mean-corpuscular-hemoglobin-concentration (MCHC), mean-corpuscular-hemoglobin (MCH) and activated-partial-prothrombin-time (aPTT). The most effective features in the prognosis of the disease were erythrocyte-sedimentation-rate (ESR), neutrophil-count (NEU), C-reactive-protein (CRP). LogNNet-model achieved an accuracy rate of A46 = 99.5% in the diagnosis of the disease with 46 features and A3 = 99.17% with only MCHC, MCH, and aPTT features. Model reached an accuracy rate of A48 = 94.4% in determining the prognosis of the disease with 48 features and A3 = 82.7% with only ESR, NEU, and CRP features. LogNNet model demonstrated a very high disease diagnosis/prognosis of COVID-19 performance without knowing about the symptoms or history of the patients. The model is suitable for devices with low resources (3-14 kB of RAM used on the Arduino microcontroller), and is promising to create mobile health monitoring systems in the Internet of Things. Our method will reduce the negative pressures on the health sector and help doctors understand pathogenesis of COVID-19 through key futures and contribute positively to the treatment processes.

We consider the problem of estimating a rank-1 signal corrupted by structured rotationally invariant noise, and address the following question: how well do inference algorithms perform when the noise statistics is unknown and hence Gaussian noise is assumed? While the matched Bayes-optimal setting with unstructured noise is well understood, the analysis of this mismatched problem is only at its premises. In this paper, we make a step towards understanding the effect of the strong source of mismatch which is the noise statistics. Our main technical contribution is the rigorous analysis of a Bayes estimator and of an approximate message passing (AMP) algorithm, both of which incorrectly assume a Gaussian setup. The first result exploits the theory of spherical integrals and of low-rank matrix perturbations; the idea behind the second one is to design and analyze an artificial AMP which, by taking advantage of the flexibility in the denoisers, is able to "correct" the mismatch. Armed with these sharp asymptotic characterizations, we unveil a rich and often unexpected phenomenology. For example, despite AMP is in principle designed to efficiently compute the Bayes estimator, the former is outperformed by the latter in terms of mean-square error. We show that this performance gap is due to an incorrect estimation of the signal norm. In fact, when the SNR is large enough, the overlaps of the AMP and the Bayes estimator coincide, and they even match those of optimal estimators taking into account the structure of the noise.

We focus on the development of AIs which live in lifelong symbiosis with a human. The key prerequisite for this task is that the AI understands - at any moment in time - the personal situational context that the human is in. We outline the key challenges that this task brings forth, namely (i) handling the human-like and ego-centric nature of the the user's context, necessary for understanding and providing useful suggestions, (ii) performing lifelong context recognition using machine learning in a way that is robust to change, and (iii) maintaining alignment between the AI's and human's representations of the world through continual bidirectional interaction. In this short paper, we summarize our recent attempts at tackling these challenges, discuss the lessons learned, and highlight directions of future research. The main take-away message is that pursuing this project requires research which lies at the intersection of knowledge representation and machine learning. Neither technology can achieve this goal without the other.

It is increasingly common to solve combinatorial optimisation problems that are partially-specified. We survey the case where the objective function or the relations between variables are not known or are only partially specified. The challenge is to learn them from available data, while taking into account a set of hard constraints that a solution must satisfy, and that solving the optimisation problem (esp. during learning) is computationally very demanding. This paper overviews four seemingly unrelated approaches, that can each be viewed as learning the objective function of a hard combinatorial optimisation problem: 1) surrogate-based optimisation, 2) empirical model learning, 3) decision-focused learning (`predict + optimise'), and 4) structured-output prediction. We formalise each learning paradigm, at first in the ways commonly found in the literature, and then bring the formalisations together in a compatible way using regret. We discuss the differences and interactions between these frameworks, highlight the opportunities for cross-fertilization and survey open directions.

Bayesian optimization involves "inner optimization" over a new-data acquisition criterion which is non-convex/highly multi-modal, may be non-differentiable, or may otherwise thwart local numerical optimizers. In such cases it is common to replace continuous search with a discrete one over random candidates. Here we propose using candidates based on a Delaunay triangulation of the existing input design. We detail the construction of these "tricands" and demonstrate empirically how they outperform both numerically optimized acquisitions and random candidate-based alternatives, and are well-suited for hybrid schemes, on benchmark synthetic and real simulation experiments.

Learning from data that contain missing values represents a common phenomenon in many domains. Relatively few Bayesian Network structure learning algorithms account for missing data, and those that do tend to rely on standard approaches that assume missing data are missing at random, such as the Expectation-Maximisation algorithm. Because missing data are often systematic, there is a need for more pragmatic methods that can effectively deal with data sets containing missing values not missing at random. The absence of approaches that deal with systematic missing data impedes the application of BN structure learning methods to real-world problems where missingness are not random. This paper describes three variants of greedy search structure learning that utilise pairwise deletion and inverse probability weighting to maximally leverage the observed data and to limit potential bias caused by missing values. The first two of the variants can be viewed as sub-versions of the third and best performing variant, but are important in their own in illustrating the successive improvements in learning accuracy. The empirical investigations show that the proposed approach outperforms the commonly used and state-of-the-art Structural EM algorithm, both in terms of learning accuracy and efficiency, as well as both when data are missing at random and not at random.

Mobile Manipulation (MM) systems are ideal candidates for taking up the role of a personal assistant in unstructured real-world environments. Among other challenges, MM requires effective coordination of the robot's embodiments for executing tasks that require both mobility and manipulation. Reinforcement Learning (RL) holds the promise of endowing robots with adaptive behaviors, but most methods require prohibitively large amounts of data for learning a useful control policy. In this work, we study the integration of robotic reachability priors in actor-critic RL methods for accelerating the learning of MM for reaching and fetching tasks. Namely, we consider the problem of optimal base placement and the subsequent decision of whether to activate the arm for reaching a 6D target. For this, we devise a novel Hybrid RL method that handles discrete and continuous actions jointly, resorting to the Gumbel-Softmax reparameterization. Next, we train a reachability prior using data from the operational robot workspace, inspired by classical methods. Subsequently, we derive Boosted Hybrid RL (BHyRL), a novel algorithm for learning Q-functions by modeling them as a sum of residual approximators. Every time a new task needs to be learned, we can transfer our learned residuals and learn the component of the Q-function that is task-specific, hence, maintaining the task structure from prior behaviors. Moreover, we find that regularizing the target policy with a prior policy yields more expressive behaviors. We evaluate our method in simulation in reaching and fetching tasks of increasing difficulty, and we show the superior performance of BHyRL against baseline methods. Finally, we zero-transfer our learned 6D fetching policy with BHyRL to our MM robot TIAGo++. For more details and code release, please refer to our project site: irosalab.com/rlmmbp

Deep neural networks often suffer the data distribution shift between training and testing, and the batch statistics are observed to reflect the shift. In this paper, targeting of alleviating distribution shift in test time, we revisit the batch normalization (BN) in the training process and reveals two key insights benefiting test-time optimization: $(i)$ preserving the same gradient backpropagation form as training, and $(ii)$ using dataset-level statistics for robust optimization and inference. Based on the two insights, we propose a novel test-time BN layer design, GpreBN, which is optimized during testing by minimizing Entropy loss. We verify the effectiveness of our method on two typical settings with distribution shift, i.e., domain generalization and robustness tasks. Our GpreBN significantly improves the test-time performance and achieves the state of the art results.

Deep Neural Networks (DNNs) have already become a crucial computational approach to revealing the spatial patterns in the human brain; however, there are three major shortcomings in utilizing DNNs to detect the spatial patterns in functional Magnetic Resonance Signals: 1). It is a fully connected architecture that increases the complexity of network structures that is difficult to optimize and vulnerable to overfitting; 2). The requirement of large training samples results in erasing the individual/minor patterns in feature extraction; 3). The hyperparameters are required to be tuned manually, which is time-consuming. Therefore, we propose a novel deep nonlinear matrix factorization named Deep Matrix Approximately Nonlinear Decomposition (DEMAND) in this work to take advantage of the shallow linear model, e.g., Sparse Dictionary Learning (SDL) and DNNs. At first, the proposed DEMAND employs a non-fully connected and multilayer-stacked architecture that is easier to be optimized compared with canonical DNNs; furthermore, due to the efficient architecture, training DEMAND can avoid overfitting and enables the recognition of individual/minor features based on a small dataset such as an individual data; finally, a novel rank estimator technique is introduced to tune all hyperparameters of DEMAND automatically. Moreover, the proposed DEMAND is validated by four other peer methodologies via real functional Magnetic Resonance Imaging data in the human brain. In short, the validation results demonstrate that DEMAND can reveal the reproducible meta, canonical, and sub-spatial features of the human brain more efficiently than other peer methodologies.

Model-based reinforcement learning methods often use learning only for the purpose of estimating an approximate dynamics model, offloading the rest of the decision-making work to classical trajectory optimizers. While conceptually simple, this combination has a number of empirical shortcomings, suggesting that learned models may not be well-suited to standard trajectory optimization. In this paper, we consider what it would look like to fold as much of the trajectory optimization pipeline as possible into the modeling problem, such that sampling from the model and planning with it become nearly identical. The core of our technical approach lies in a diffusion probabilistic model that plans by iteratively denoising trajectories. We show how classifier-guided sampling and image inpainting can be reinterpreted as coherent planning strategies, explore the unusual and useful properties of diffusion-based planning methods, and demonstrate the effectiveness of our framework in control settings that emphasize long-horizon decision-making and test-time flexibility.

Disentanglement is a difficult property to enforce in neural representations. This might be due, in part, to a formalization of the disentanglement problem that focuses too heavily on separating relevant factors of variation of the data in single isolated dimensions of the neural representation. We argue that such a definition might be too restrictive and not necessarily beneficial in terms of downstream tasks. In this work, we present an alternative view over learning (weakly) disentangled representations, which leverages concepts from relational learning. We identify the regions of the latent space that correspond to specific instances of generative factors, and we learn the relationships among these regions in order to perform controlled changes to the latent codes. We also introduce a compound generative model that implements such a weak disentanglement approach. Our experiments shows that the learned representations can separate the relevant factors of variation in the data, while preserving the information needed for effectively generating high quality data samples.

Domain adaptation techniques have contributed to the success of deep learning. Leveraging knowledge from an auxiliary source domain for learning in labeled data-scarce target domain is fundamental to domain adaptation. While these techniques result in increasing accuracy, the adaptation process, particularly the knowledge leveraged from the source domain, remains unclear. This paper proposes an explainable by design supervised domain adaptation framework - XSDA-Net. We integrate a case-based reasoning mechanism into the XSDA-Net to explain the prediction of a test instance in terms of similar-looking regions in the source and target train images. We empirically demonstrate the utility of the proposed framework by curating the domain adaptation settings on datasets popularly known to exhibit part-based explainability.

We aim to understand grokking, a phenomenon where models generalize long after overfitting their training set. We present both a microscopic analysis anchored by an effective theory and a macroscopic analysis of phase diagrams describing learning performance across hyperparameters. We find that generalization originates from structured representations whose training dynamics and dependence on training set size can be predicted by our effective theory in a toy setting. We observe empirically the presence of four learning phases: comprehension, grokking, memorization, and confusion. We find representation learning to occur only in a "Goldilocks zone" (including comprehension and grokking) between memorization and confusion. Compared to the comprehension phase, the grokking phase stays closer to the memorization phase, leading to delayed generalization. The Goldilocks phase is reminiscent of "intelligence from starvation" in Darwinian evolution, where resource limitations drive discovery of more efficient solutions. This study not only provides intuitive explanations of the origin of grokking, but also highlights the usefulness of physics-inspired tools, e.g., effective theories and phase diagrams, for understanding deep learning.

Machine learning models with explainable predictions are increasingly sought after, especially for real-world, mission-critical applications that require bias detection and risk mitigation. Inherent interpretability, where a model is designed from the ground-up for interpretability, provides intuitive insights and transparent explanations on model prediction and performance. In this paper, we present CoLabel, an approach to build interpretable models with explanations rooted in the ground truth. We demonstrate CoLabel in a vehicle feature extraction application in the context of vehicle make-model recognition (VMMR). CoLabel performs VMMR with a composite of interpretable features such as vehicle color, type, and make, all based on interpretable annotations of the ground truth labels. First, CoLabel performs corroborative integration to join multiple datasets that each have a subset of desired annotations of color, type, and make. Then, CoLabel uses decomposable branches to extract complementary features corresponding to desired annotations. Finally, CoLabel fuses them together for final predictions. During feature fusion, CoLabel harmonizes complementary branches so that VMMR features are compatible with each other and can be projected to the same semantic space for classification. With inherent interpretability, CoLabel achieves superior performance to the state-of-the-art black-box models, with accuracy of 0.98, 0.95, and 0.94 on CompCars, Cars196, and BoxCars116K, respectively. CoLabel provides intuitive explanations due to constructive interpretability, and subsequently achieves high accuracy and usability in mission-critical situations.

We propose Characteristic-Neural Ordinary Differential Equations (C-NODEs), a framework for extending Neural Ordinary Differential Equations (NODEs) beyond ODEs. While NODEs model the evolution of a latent variables as the solution to an ODE, C-NODE models the evolution of the latent variables as the solution of a family of first-order quasi-linear partial differential equations (PDEs) along curves on which the PDEs reduce to ODEs, referred to as characteristic curves. This in turn allows the application of the standard frameworks for solving ODEs, namely the adjoint method. Learning optimal characteristic curves for given tasks improves the performance and computational efficiency, compared to state of the art NODE models. We prove that the C-NODE framework extends the classical NODE on classification tasks by demonstrating explicit C-NODE representable functions not expressible by NODEs. Additionally, we present C-NODE-based continuous normalizing flows, which describe the density evolution of latent variables along multiple dimensions. Empirical results demonstrate the improvements provided by the proposed method for classification and density estimation on CIFAR-10, SVHN, and MNIST datasets under a similar computational budget as the existing NODE methods. The results also provide empirical evidence that the learned curves improve the efficiency of the system through a lower number of parameters and function evaluations compared with baselines.

Gradient methods have become mainstream techniques for Bi-Level Optimization (BLO) in learning and vision fields. The validity of existing works heavily relies on solving a series of approximation subproblems with extraordinarily high accuracy. Unfortunately, to achieve the approximation accuracy requires executing a large quantity of time-consuming iterations and computational burden is naturally caused. This paper is thus devoted to address this critical computational issue. In particular, we propose a single-level formulation to uniformly understand existing explicit and implicit Gradient-based BLOs (GBLOs). This together with our designed counter-example can clearly illustrate the fundamental numerical and theoretical issues of GBLOs and their naive accelerations. By introducing the dual multipliers as a new variable, we then establish Bilevel Alternating Gradient with Dual Correction (BAGDC), a general framework, which significantly accelerates different categories of existing methods by taking specific settings. A striking feature of our convergence result is that, compared to those original unaccelerated GBLO versions, the fast BAGDC admits a unified non-asymptotic convergence theory towards stationarity. A variety of numerical experiments have also been conducted to demonstrate the superiority of the proposed algorithmic framework.

Explaining neural network predictions is known to be a challenging problem. In this paper, we propose a novel approach which can be effectively exploited, either in isolation or in combination with other methods, to enhance the interpretability of neural model predictions. For a given input to a trained neural model, our aim is to compute a smallest set of input features so that the model prediction changes when these features are disregarded by setting them to an uninformative baseline value. While computing such minimal explanations is computationally intractable in general for fully-connected neural networks, we show that the problem becomes solvable in polynomial time by a greedy algorithm under mild assumptions on the network's activation functions. We then show that our tractability result extends seamlessly to more advanced neural architectures such as convolutional and graph neural networks. We conduct experiments to showcase the capability of our method for identifying the input features that are essential to the model's prediction.

As two popular schools of machine learning, online learning and evolutionary computations have become two important driving forces behind real-world decision making engines for applications in biomedicine, economics, and engineering fields. Although there are prior work that utilizes bandits to improve evolutionary algorithms' optimization process, it remains a field of blank on how evolutionary approach can help improve the sequential decision making tasks of online learning agents such as the multi-armed bandits. In this work, we propose the Genetic Thompson Sampling, a bandit algorithm that keeps a population of agents and update them with genetic principles such as elite selection, crossover and mutations. Empirical results in multi-armed bandit simulation environments and a practical epidemic control problem suggest that by incorporating the genetic algorithm into the bandit algorithm, our method significantly outperforms the baselines in nonstationary settings. Lastly, we introduce EvoBandit, a web-based interactive visualization to guide the readers through the entire learning process and perform lightweight evaluations on the fly. We hope to engage researchers into this growing field of research with this investigation.

Fake engagement is one of the significant problems in Online Social Networks (OSNs) which is used to increase the popularity of an account in an inorganic manner. The detection of fake engagement is crucial because it leads to loss of money for businesses, wrong audience targeting in advertising, wrong product predictions systems, and unhealthy social network environment. This study is related with the detection of fake and automated accounts which leads to fake engagement on Instagram. Prior to this work, there were no publicly available dataset for fake and automated accounts. For this purpose, two datasets have been published for the detection of fake and automated accounts. For the detection of these accounts, machine learning algorithms like Naive Bayes, Logistic Regression, Support Vector Machines and Neural Networks are applied. Additionally, for the detection of automated accounts, cost sensitive genetic algorithm is proposed to handle the unnatural bias in the dataset. To deal with the unevenness problem in the fake dataset, Smote-nc algorithm is implemented. For the automated and fake account detection datasets, 86% and 96% classification accuracies are obtained, respectively.

The aim of path planning is to reach the goal from starting point by searching for the route of an agent. In the path planning, the routes may vary depending on the number of variables such that it is important for the agent to reach various goals. Numerous studies, however, have dealt with a single goal that is predefined by the user. In the present study, I propose a novel reinforcement learning framework for a fully controllable agent in the path planning. To do this, I propose a bi-directional memory editing to obtain various bi-directional trajectories of the agent, in which the behavior of the agent and sub-goals are trained on the goal-conditioned RL. As for moving the agent in various directions, I utilize the sub-goals dedicated network, separated from a policy network. Lastly, I present the reward shaping to shorten the number of steps for the agent to reach the goal. In the experimental result, the agent was able to reach the various goals that have never been visited by the agent in the training. We confirmed that the agent could perform difficult missions such as a round trip and the agent used the shorter route with the reward shaping.

The vulnerability of deep neural networks to adversarial attacks has been widely demonstrated (e.g., adversarial example attacks). Traditional attacks perform unstructured pixel-wise perturbation to fool the classifier. An alternative approach is to have perturbations in the latent space. However, such perturbations are hard to control due to the lack of interpretability and disentanglement. In this paper, we propose a more practical adversarial attack by designing structured perturbation with semantic meanings. Our proposed technique manipulates the semantic attributes of images via the disentangled latent codes. The intuition behind our technique is that images in similar domains have some commonly shared but theme-independent semantic attributes, e.g. thickness of lines in handwritten digits, that can be bidirectionally mapped to disentangled latent codes. We generate adversarial perturbation by manipulating a single or a combination of these latent codes and propose two unsupervised semantic manipulation approaches: vector-based disentangled representation and feature map-based disentangled representation, in terms of the complexity of the latent codes and smoothness of the reconstructed images. We conduct extensive experimental evaluations on real-world image data to demonstrate the power of our attacks for black-box classifiers. We further demonstrate the existence of a universal, image-agnostic semantic adversarial example.

Detection and classification of radars based on pulses they transmit is an important application in electronic warfare systems. In this work, we propose a novel deep-learning based technique that automatically recognizes intra-pulse modulation types of radar signals. Re-assigned spectrogram of measured radar signal and detected outliers of its instantaneous phases filtered by a special function are used for training multiple convolutional neural networks. Automatically extracted features from the networks are fused to distinguish frequency and phase modulated signals. Simulation results show that the proposed FF-CNN (Feature Fusion based Convolutional Neural Network) technique outperforms the current state-of-the-art alternatives and is easily scalable among broad range of modulation types.

Associative memory plays an important role in human intelligence and its mechanisms have been linked to attention in machine learning. While the machine learning community's interest in associative memories has recently been rekindled, most work has focused on memory recall ($read$) over memory learning ($write$). In this paper, we present BayesPCN, a hierarchical associative memory capable of performing continual one-shot memory writes without meta-learning. Moreover, BayesPCN is able to gradually forget past observations ($forget$) to free its memory. Experiments show that BayesPCN can recall corrupted i.i.d. high-dimensional data observed hundreds of "timesteps" ago without a significant drop in recall ability compared to the state-of-the-art offline-learned associative memory models.

Spiking Neural Networks (SNNs) are gaining significant traction in machine learning tasks where energy-efficiency is of utmost importance. Training such networks using the state-of-the-art back-propagation through time (BPTT) is, however, very time-consuming. Previous work by Shrestha and Orchard [2018] employs an efficient GPU-accelerated back-propagation algorithm called SLAYER, which speeds up training considerably. SLAYER, however, does not take into account the neuron reset mechanism while computing the gradients, which we argue to be the source of numerical instability. To counteract this, SLAYER introduces a gradient scale hyperparameter across layers, which needs manual tuning. In this paper, (i) we modify SLAYER and design an algorithm called EXODUS, that accounts for the neuron reset mechanism and applies the Implicit Function Theorem (IFT) to calculate the correct gradients (equivalent to those computed by BPTT), (ii) we eliminate the need for ad-hoc scaling of gradients, thus, reducing the training complexity tremendously, (iii) we demonstrate, via computer simulations, that EXODUS is numerically stable and achieves a comparable or better performance than SLAYER especially in various tasks with SNNs that rely on temporal features. Our code is available at https://github.com/synsense/sinabs-exodus.

Greedy best-first search (GBFS) and A* search (A*) are popular algorithms for path-finding on large graphs. Both use so-called heuristic functions, which estimate how close a vertex is to the goal. While heuristic functions have been handcrafted using domain knowledge, recent studies demonstrate that learning heuristic functions from data is effective in many applications. Motivated by this emerging approach, we study the sample complexity of learning heuristic functions for GBFS and A*. We build on a recent framework called \textit{data-driven algorithm design} and evaluate the \textit{pseudo-dimension} of a class of utility functions that measure the performance of parameterized algorithms. Assuming that a vertex set of size $n$ is fixed, we present $\mathrm{O}(n\lg n)$ and $\mathrm{O}(n^2\lg n)$ upper bounds on the pseudo-dimensions for GBFS and A*, respectively, parameterized by heuristic function values. The upper bound for A* can be improved to $\mathrm{O}(n^2\lg d)$ if every vertex has a degree of at most $d$ and to $\mathrm{O}(n \lg n)$ if edge weights are integers bounded by $\mathrm{poly}(n)$. We also give $\Omega(n)$ lower bounds for GBFS and A*, which imply that our bounds for GBFS and A* under the integer-weight condition are tight up to a $\lg n$ factor. Finally, we discuss a case where the performance of A* is measured by the suboptimality and show that we can sometimes obtain a better guarantee by combining a parameter-dependent worst-case bound with a sample complexity bound.

Due to the superior performance of Graph Neural Networks (GNNs) in various domains, there is an increasing interest in the GNN explanation problem "\emph{which fraction of the input graph is the most crucial to decide the model's decision?}" Existing explanation methods focus on the supervised settings, \eg, node classification and graph classification, while the explanation for unsupervised graph-level representation learning is still unexplored. The opaqueness of the graph representations may lead to unexpected risks when deployed for high-stake decision-making scenarios. In this paper, we advance the Information Bottleneck principle (IB) to tackle the proposed explanation problem for unsupervised graph representations, which leads to a novel principle, \textit{Unsupervised Subgraph Information Bottleneck} (USIB). We also theoretically analyze the connection between graph representations and explanatory subgraphs on the label space, which reveals that the expressiveness and robustness of representations benefit the fidelity of explanatory subgraphs. Experimental results on both synthetic and real-world datasets demonstrate the superiority of our developed explainer and the validity of our theoretical analysis.

In this paper, we study the problem of consistency in the context of adversarial examples. Specifically, we tackle the following question: can surrogate losses still be used as a proxy for minimizing the $0/1$ loss in the presence of an adversary that alters the inputs at test-time? Different from the standard classification task, this question cannot be reduced to a point-wise minimization problem, and calibration needs not to be sufficient to ensure consistency. In this paper, we expose some pathological behaviors specific to the adversarial problem, and show that no convex surrogate loss can be consistent or calibrated in this context. It is therefore necessary to design another class of surrogate functions that can be used to solve the adversarial consistency issue. As a first step towards designing such a class, we identify sufficient and necessary conditions for a surrogate loss to be calibrated in both the adversarial and standard settings. Finally, we give some directions for building a class of losses that could be consistent in the adversarial framework.

The bias-variance trade-off is a well-known problem in machine learning that only gets more pronounced the less available data there is. In active learning, where labeled data is scarce or difficult to obtain, neglecting this trade-off can cause inefficient and non-optimal querying, leading to unnecessary data labeling. In this paper, we focus on active learning with Gaussian Processes (GPs). For the GP, the bias-variance trade-off is made by optimization of the two hyperparameters: the length scale and noise-term. Considering that the optimal mode of the joint posterior of the hyperparameters is equivalent to the optimal bias-variance trade-off, we approximate this joint posterior and utilize it to design two new acquisition functions. The first one is a Bayesian variant of Query-by-Committee (B-QBC), and the second is an extension that explicitly minimizes the predictive variance through a Query by Mixture of Gaussian Processes (QB-MGP) formulation. Across six common simulators, we empirically show that B-QBC, on average, achieves the best marginal likelihood, whereas QB-MGP achieves the best predictive performance. We show that incorporating the bias-variance trade-off in the acquisition functions mitigates unnecessary and expensive data labeling.

Secure multiparty computation (MPC) has been proposed to allow multiple mutually distrustful data owners to jointly train machine learning (ML) models on their combined data. However, the datasets used for training ML models might be under the control of an adversary mounting a data poisoning attack, and MPC prevents inspecting training sets to detect poisoning. We show that multiple MPC frameworks for private ML training are susceptible to backdoor and targeted poisoning attacks. To mitigate this, we propose SafeNet, a framework for building ensemble models in MPC with formal guarantees of robustness to data poisoning attacks. We extend the security definition of private ML training to account for poisoning and prove that our SafeNet design satisfies the definition. We demonstrate SafeNet's efficiency, accuracy, and resilience to poisoning on several machine learning datasets and models. For instance, SafeNet reduces backdoor attack success from 100% to 0% for a neural network model, while achieving 39x faster training and 36x less communication than the four-party MPC framework of Dalskov et al.

Transformers achieve state-of-the-art performance for natural language processing tasks by pre-training on large-scale text corpora. They are extremely compute-intensive and have very high sample complexity. Memory replay is a mechanism that remembers and reuses past examples by saving to and replaying from a memory buffer. It has been successfully used in reinforcement learning and GANs due to better sample efficiency. In this paper, we propose \emph{Transformer with Memory Replay} (TMR), which integrates memory replay with transformer, making transformer more sample-efficient. Experiments on GLUE and SQuAD benchmark datasets show that Transformer with Memory Replay achieves at least $1\%$ point increase compared to the baseline transformer model when pretrained with the same number of examples. Further, by adopting a careful design that reduces the wall-clock time overhead of memory replay, we also empirically achieve a better runtime efficiency.

Image super-resolution is a one-to-many problem, but most deep-learning based methods only provide one single solution to this problem. In this work, we tackle the problem of diverse super-resolution by reusing VD-VAE, a state-of-the art variational autoencoder (VAE). We find that the hierarchical latent representation learned by VD-VAE naturally separates the image low-frequency information, encoded in the latent groups at the top of the hierarchy, from the image high-frequency details, determined by the latent groups at the bottom of the latent hierarchy. Starting from this observation, we design a super-resolution model exploiting the specific structure of VD-VAE latent space. Specifically, we train an encoder to encode low-resolution images in the subset of VD-VAE latent space encoding the low-frequency information, and we combine this encoder with VD-VAE generative model to sample diverse super-resolved version of a low-resolution input. We demonstrate the ability of our method to generate diverse solutions to the super-resolution problem on face super-resolution with upsampling factors x4, x8, and x16.  ( 2 min )

Desert locust outbreaks threaten the food security of a large part of Africa and have affected the livelihoods of millions of people over the years. Machine learning (ML) has been demonstrated as an effective approach to locust distribution modelling which could assist in early warning. ML requires a significant amount of labelled data to train. Most publicly available labelled data on locusts are presence-only data, where only the sightings of locusts being present at a location are recorded. Therefore, prior work using ML have resorted to pseudo-absence generation methods as a way to circumvent this issue. The most commonly used approach is to randomly sample points in a region of interest while ensuring that these sampled pseudo-absence points are at least a specific distance away from true presence points. In this paper, we compare this random sampling approach to more advanced pseudo-absence generation methods, such as environmental profiling and optimal background extent limitation, specifically for predicting desert locust breeding grounds in Africa. Interestingly, we find that for the algorithms we tested, namely logistic regression, gradient boosting, random forests and maximum entropy, all popular in prior work, the logistic model performed significantly better than the more sophisticated ensemble methods, both in terms of prediction accuracy and F1 score. Although background extent limitation combined with random sampling boosted performance for ensemble methods, for LR this was not the case, and instead, a significant improvement was obtained when using environmental profiling. In light of this, we conclude that a simpler ML approach such as logistic regression combined with more advanced pseudo-absence generation, specifically environmental profiling, can be a sensible and effective approach to predicting locust breeding grounds across Africa.  ( 3 min )

A popular approach to model interactions is to represent them as a network with nodes being the agents and the interactions being the edges. Interactions are often timestamped, which leads to having timestamped edges. Many real-world temporal networks have a recurrent or possibly cyclic behaviour. For example, social network activity may be heightened during certain hours of day. In this paper, our main interest is to model recurrent activity in such temporal networks. As a starting point we use stochastic block model, a popular choice for modelling static networks, where nodes are split into $R$ groups. We extend this model to temporal networks by modelling the edges with a Poisson process. We make the parameters of the process dependent on time by segmenting the time line into $K$ segments. To enforce the recurring activity we require that only $H < K$ different set of parameters can be used, that is, several, not necessarily consecutive, segments must share their parameters. We prove that the searching for optimal blocks and segmentation is an NP-hard problem. Consequently, we split the problem into 3 subproblems where we optimize blocks, model parameters, and segmentation in turn while keeping the remaining structures fixed. We propose an iterative algorithm that requires $O(KHm + Rn + R^2H)$ time per iteration, where $n$ and $m$ are the number of nodes and edges in the network. We demonstrate experimentally that the number of required iterations is typically low, the algorithm is able to discover the ground truth from synthetic datasets, and show that certain real-world networks exhibit recurrent behaviour as the likelihood does not deteriorate when $H$ is lowered.  ( 2 min )

Unsupervised/self-supervised representation learning in time series is critical since labeled samples are usually scarce in real-world scenarios. Existing approaches mainly leverage the contrastive learning framework, which automatically learns to understand the similar and dissimilar data pairs. Nevertheless, they are restricted to the prior knowledge of constructing pairs, cumbersome sampling policy, and unstable performances when encountering sampling bias. Also, few works have focused on effectively modeling across temporal-spectral relations to extend the capacity of representations. In this paper, we aim at learning representations for time series from a new perspective and propose Cross Reconstruction Transformer (CRT) to solve the aforementioned problems in a unified way. CRT achieves time series representation learning through a cross-domain dropping-reconstruction task. Specifically, we transform time series into the frequency domain and randomly drop certain parts in both time and frequency domains. Dropping can maximally preserve the global context compared to cropping and masking. Then a transformer architecture is utilized to adequately capture the cross-domain correlations between temporal and spectral information through reconstructing data in both domains, which is called Dropped Temporal-Spectral Modeling. To discriminate the representations in global latent space, we propose Instance Discrimination Constraint to reduce the mutual information between different time series and sharpen the decision boundaries. Additionally, we propose a specified curriculum learning strategy to optimize the CRT, which progressively increases the dropping ratio in the training process.  ( 2 min )

Entity alignment (EA) aims at finding equivalent entities in different knowledge graphs (KGs). Embedding-based approaches have dominated the EA task in recent years. Those methods face problems that come from the geometric properties of embedding vectors, including hubness and isolation. To solve these geometric problems, many normalization approaches have been adopted to EA. However, the increasing scale of KGs renders it is hard for EA models to adopt the normalization processes, thus limiting their usage in real-world applications. To tackle this challenge, we present ClusterEA, a general framework that is capable of scaling up EA models and enhancing their results by leveraging normalization methods on mini-batches with a high entity equivalent rate. ClusterEA contains three components to align entities between large-scale KGs, including stochastic training, ClusterSampler, and SparseFusion. It first trains a large-scale Siamese GNN for EA in a stochastic fashion to produce entity embeddings. Based on the embeddings, a novel ClusterSampler strategy is proposed for sampling highly overlapped mini-batches. Finally, ClusterEA incorporates SparseFusion, which normalizes local and global similarity and then fuses all similarity matrices to obtain the final similarity matrix. Extensive experiments with real-life datasets on EA benchmarks offer insight into the proposed framework, and suggest that it is capable of outperforming the state-of-the-art scalable EA framework by up to 8 times in terms of Hits@1.  ( 2 min )

Approximating Stochastic Gradient Descent (SGD) as a Stochastic Differential Equation (SDE) has allowed researchers to enjoy the benefits of studying a continuous optimization trajectory while carefully preserving the stochasticity of SGD. Analogous study of adaptive gradient methods, such as RMSprop and Adam, has been challenging because there were no rigorously proven SDE approximations for these methods. This paper derives the SDE approximations for RMSprop and Adam, giving theoretical guarantees of their correctness as well as experimental validation of their applicability to common large-scaling vision and language settings. A key practical result is the derivation of a $\textit{square root scaling rule}$ to adjust the optimization hyperparameters of RMSprop and Adam when changing batch size, and its empirical validation in deep learning settings.  ( 2 min )

We present HeadText, a hands-free technique on a smart earpiece for text entry by motion sensing. Users input text utilizing only 7 head gestures for key selection, word selection, word commitment and word cancelling tasks. Head gesture recognition is supported by motion sensing on a smart earpiece to capture head moving signals and machine learning algorithms (K-Nearest-Neighbor (KNN) with a Dynamic Time Warping (DTW) distance measurement). A 10-participant user study proved that HeadText could recognize 7 head gestures at an accuracy of 94.29%. After that, the second user study presented that HeadText could achieve a maximum accuracy of 10.65 WPM and an average accuracy of 9.84 WPM for text entry. Finally, we demonstrate potential applications of HeadText in hands-free scenarios for (a). text entry of people with motor impairments, (b). private text entry, and (c). socially acceptable text entry.  ( 2 min )

Inspired by recent work on neural subspaces and mode connectivity, we revisit parameter subspace sampling for shifted and/or interpolatable input distributions (instead of a single, unshifted distribution). We enforce a compressed geometric structure upon a set of trained parameters mapped to a set of train-time distributions, denoting the resulting subspaces as Compressed Parameter Subspaces (CPS). We show the success and failure modes of the types of shifted distributions whose optimal parameters reside in the CPS. We find that ensembling point-estimates within a CPS can yield a high average accuracy across a range of test-time distributions, including backdoor, adversarial, permutation, stylization and rotation perturbations. We also find that the CPS can contain low-loss point-estimates for various task shifts (albeit interpolated, perturbed, unseen or non-identical coarse labels). We further demonstrate this property in a continual learning setting with CIFAR100.  ( 2 min )

In this paper, we present a novel method to compute decision rules to build a more accurate interpretable machine learning model, denoted as ExMo. The ExMo interpretable machine learning model consists of a list of IF...THEN... statements with a decision rule in the condition. This way, ExMo naturally provides an explanation for a prediction using the decision rule that was triggered. ExMo uses a new approach to extract decision rules from the training data using term frequency-inverse document frequency (TF-IDF) features. With TF-IDF, decision rules with feature values that are more relevant to each class are extracted. Hence, the decision rules obtained by ExMo can distinguish the positive and negative classes better than the decision rules used in the existing Bayesian Rule List (BRL) algorithm, obtained using the frequent pattern mining approach. The paper also shows that ExMo learns a qualitatively better model than BRL. Furthermore, ExMo demonstrates that the textual explanation can be provided in a human-friendly way so that the explanation can be easily understood by non-expert users. We validate ExMo on several datasets with different sizes to evaluate its efficacy. Experimental validation on a real-world fraud detection application shows that ExMo is 20% more accurate than BRL and that it achieves accuracy similar to those of deep learning models.  ( 2 min )

During the last decade, Natural Language Processing has become, after Computer Vision, the second field of Artificial Intelligence that was massively changed by the advent of Deep Learning. Regardless of the architecture, the language models of the day need to be able to process or generate text, as well as predict missing words, sentences or relations depending on the task. Due to their black-box nature, such models are difficult to interpret and explain to third parties. Visualization is often the bridge that language model designers use to explain their work, as the coloring of the salient words and phrases, clustering or neuron activations can be used to quickly understand the underlying models. This paper showcases the techniques used in some of the most popular Deep Learning for NLP visualizations, with a special focus on interpretability and explainability.  ( 2 min )

Zero-shot translation is a promising direction for building a comprehensive multilingual neural machine translation (MNMT) system. However, its quality is still not satisfactory due to off-target issues. In this paper, we aim to understand and alleviate the off-target issues from the perspective of uncertainty in zero-shot translation. By carefully examining the translation output and model confidence, we identify two uncertainties that are responsible for the off-target issues, namely, extrinsic data uncertainty and intrinsic model uncertainty. Based on the observations, we propose two light-weight and complementary approaches to denoise the training data for model training, and mask out the vocabulary of the off-target languages in inference. Extensive experiments on both balanced and unbalanced datasets show that our approaches significantly improve the performance of zero-shot translation over strong MNMT baselines. Qualitative analyses provide insights into where our approaches reduce off-target translations  ( 2 min )

We develop numerical protocols for estimating the frame potential, the 2-norm distance between a given ensemble and the exact Haar randomness, using the \texttt{QTensor} platform. Our tensor-network-based algorithm has polynomial complexity for shallow circuits and is high performing using CPU and GPU parallelism. We apply the above methods to two problems: the Brown-Susskind conjecture, with local and parallel random circuits in terms of the Haar distance and the approximate $k$-design properties of the hardware efficient ans{\"a}tze in quantum machine learning, which induce the barren plateau problem. We estimate frame potentials with these ensembles up to 50 qubits and $k=5$, examine the Haar distance of the hardware-efficient ans{\"a}tze, and verify the Brown-Susskind conjecture numerically. Our work shows that large-scale tensor network simulations could provide important hints toward open problems in quantum information science.  ( 2 min )

Graph neural networks (GNNs) have been demonstrated to achieve state-of-the-art for a number of graph-based learning tasks, which leads to a rise in their employment in various domains. However, it has been shown that GNNs may inherit and even amplify bias within training data, which leads to unfair results towards certain sensitive groups. Meanwhile, training of GNNs introduces additional challenges, such as slow convergence and possible instability. Faced with these limitations, this work proposes FairNorm, a unified normalization framework that reduces the bias in GNN-based learning while also providing provably faster convergence. Specifically, FairNorm employs fairness-aware normalization operators over different sensitive groups with learnable parameters to reduce the bias in GNNs. The design of FairNorm is built upon analyses that illuminate the sources of bias in graph-based learning. Experiments on node classification over real-world networks demonstrate the efficiency of the proposed scheme in improving fairness in terms of statistical parity and equal opportunity compared to fairness-aware baselines. In addition, it is empirically shown that the proposed framework leads to faster convergence compared to the naive baseline where no normalization is employed.  ( 2 min )

Deep architecture have proven capable of solving many tasks provided a sufficient amount of labeled data. In fact, the amount of available labeled data has become the principal bottleneck in low label settings such as Semi-Supervised Learning. Mixing Data Augmentations do not typically yield new labeled samples, as indiscriminately mixing contents creates between-class samples. In this work, we introduce the SciMix framework that can learn to generator to embed a semantic style code into image backgrounds, we obtain new mixing scheme for data augmentation. We then demonstrate that SciMix yields novel mixed samples that inherit many characteristics from their non-semantic parents. Afterwards, we verify those samples can be used to improve the performance semi-supervised frameworks like Mean Teacher or Fixmatch, and even fully supervised learning on a small labeled dataset.  ( 2 min )

In recent years, several classification methods that intend to quantify epistemic uncertainty have been proposed, either by producing predictions in the form of second-order distributions or sets of probability distributions. In this work, we focus on the latter, also called credal predictors, and address the question of how to evaluate them: What does it mean that a credal predictor represents epistemic uncertainty in a faithful manner? To answer this question, we refer to the notion of calibration of probabilistic predictors and extend it to credal predictors. Broadly speaking, we call a credal predictor calibrated if it returns sets that cover the true conditional probability distribution. To verify this property for the important case of ensemble-based credal predictors, we propose a novel nonparametric calibration test that generalizes an existing test for probabilistic predictors to the case of credal predictors. Making use of this test, we empirically show that credal predictors based on deep neural networks are often not well calibrated.  ( 2 min )